SCHEMBL4783183

SCHEMBL4783183

[CH2]c1ccccc1-c1nnn[nH]1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12615990 0.85 ALDH1A1 (0.38) MEN1ALDH1A1KMT2AL3MBTL1
SCHEMBL4794234 0.78 DCUN1D1 (0.36)
SCHEMBL1773419 0.76 IDO1 (0.52) MEN1ALDH1A1KMT2A
SCHEMBL3397570 0.76 DCUN1D1 (0.47) ALDH1A1
SCHEMBL918324 0.76 DCUN1D1 (0.47) MEN1ALDH1A1KMT2A
SCHEMBL23161505 0.76 MEN1 (0.36) MEN1ALDH1A1KMT2AL3MBTL1
SCHEMBL704887 0.76 DCUN1D1 (0.47) MEN1ALDH1A1KMT2A
SCHEMBL1774388 0.76 DCUN1D1 (0.47) ALDH1A1KMT2A
SCHEMBL8326262 0.76 IDO1 (0.39) MEN1ALDH1A1KMT2AL3MBTL1
SCHEMBL7768911 0.76 KCNN4 (0.35) MEN1ALDH1A1KMT2AL3MBTL1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 94 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008031888-A2 CONDENSED PYRIMIDINONES ACTIVE ON GLUTAMATERGIC RECEPTORS CAMPIANI GIUSEPPE (IT) 2008-03-20 WO claimed
US-RE37781-E1 VIRICIDES, PROTEASE INHIBITOR DUPONT PHARMACEUTICALS COMPANY 2002-07-02 US claimed
EP-0691961-B1 SUBSTITUTED CAPROLACTAMS AND DERIVATIVES THEREOF USEFUL FOR TREATMENT OF HIV DISEASE DU PONT PHARM CO (US) 2002-02-13 EP claimed
EP-0686151-B1 SUBSTITUTED CYCLIC CARBONYLS AND DERIVATIVES THEREOF USEFUL AS RETROVIRAL PROTEASE INHIBITORS DU PONT PHARM CO (US) 2000-07-05 EP claimed
US-5877170-A VIRICIDES DUPONT PHARMACEUTICALS COMPANY (US) 1999-03-02 US claimed
US-5811422-A USEFUL FOR TREATING VIRAL INFECTIONS THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1998-09-22 US claimed
EP-0837855-A4 METHOD FOR PREPARING N-MONOSUBSTITUTED AND N,N'-DISUBSTITUTED UNSYMMETRICAL CYCLIC UREAS DU PONT MERCK PHARMA (US) 1998-09-02 EP claimed
EP-0837855-A1 METHOD FOR PREPARING N-MONOSUBSTITUTED AND N,N'-DISUBSTITUTED UNSYMMETRICAL CYCLIC UREAS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1998-04-29 EP claimed
US-5663333-A Substituted 1,4-diazapine caprolactams useful for treatment of HIV disease THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1997-09-02 US claimed
EP-0607334-B1 CYCLIC UREAS AND ANALOGUES USEFUL AS RETROVIRAL PROTEASE INHIBITIORS DU PONT MERCK PHARMA (US) 1997-07-30 EP claimed
US-5559110-A HIV ANTIVIRAL, GOOD SYSTEMIC ABSORPTION ADMINISTERED BY MOUTH THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1996-09-24 US claimed
US-5543517-A VIRICIDES THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1996-08-06 US claimed
US-5532357-A Method for preparing N-monosubstituted and N,N'-disubstituted unsymmetrical cyclic ureas THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1996-07-02 US claimed
EP-0691961-A1 SUBSTITUTED CAPROLACTAMS AND DERIVATIVES THEREOF USEFUL FOR TREATMENT OF HIV DISEASE THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-01-17 EP claimed
EP-0686151-A1 SUBSTITUTED CYCLIC CARBONYLS AND DERIVATIVES THEREOF USEFUL AS RETROVIRAL PROTEASE INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-12-13 EP claimed
WO-1994022840-A1 SUBSTITUTED CAPROLACTAMS AND DERIVATIVES THEREOF USEFUL FOR TREATMENT OF HIV DISEASE THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1994-10-13 WO claimed
WO-1994019329-A1 SUBSTITUTED CYCLIC CARBONYLS AND DERIVATIVES THEREOF USEFUL AS RETROVIRAL PROTEASE INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1994-09-01 WO claimed
EP-0607334-A1 CYCLIC UREAS AND ANALOGUES USEFUL AS RETROVIRAL PROTEASE INHIBITIORS. DU PONT MERCK PHARMA (US) 1994-07-27 EP claimed
WO-1994008977-A1 SUBSTITUTED CAPROLACTAMS AND DERIVATIVES THEREOF USEFUL FOR TREATMENT OF AIDS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1994-04-28 WO claimed
WO-1993007128-A1 CYCLIC UREAS AND ANALOGUES USEFUL AS RETROVIRAL PROTEASE INHIBITIORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1993-04-15 WO claimed