SCHEMBL7484123

SCHEMBL7484123

O=C(Nc1nnc(NCc2ccc(Cl)c(Cl)c2)s1)c1ccc([N+](=O)[O-])o1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 10/20 0.55
MEN1 O00255 9/20 0.55
CASP3 P42574 2/20 0.55
SENP8 Q96LD8 2/20 0.55
SENP7 Q9BQF6 2/20 0.55
SENP6 Q9GZR1 2/20 0.55
RAB9A P51151 7/20 0.51
NPC1 O15118 6/20 0.51
TNF P01375 1/20 0.49
CRHBP P24387 1/20 0.49
CRHR2 Q13324 1/20 0.49
NOD2 Q9HC29 1/20 0.49
NOD1 Q9Y239 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MAPT P10636 3/20 0.48
ALDH1A1 P00352 2/20 0.48
POLB P06746 3/20 0.48
PAX8 Q06710 1/20 0.47
GAA P10253 4/20 0.47
GLA P06280 2/20 0.47

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
SCHEMBL7481623 0.82 KMT2A (0.60) KMT2AMEN1RAB9ANPC1MAPT
SCHEMBL7489045 0.79 RXFP1 (0.47) KMT2AMEN1ALDH1A1POLBRXFP1
SCHEMBL7487427 0.77 RAB9A (0.57) KMT2AMEN1CASP3SENP8SENP7
SCHEMBL7483347 0.77 RAB9A (0.57) KMT2AMEN1CASP3SENP8SENP7
SCHEMBL11888575 0.77 KMT2A (0.71) KMT2AMEN1RAB9ANPC1MAPT
SCHEMBL7482708 0.77 STING1 (0.56) KMT2AMEN1CASP3SENP8SENP7
SCHEMBL7480080 0.77 RAB9A (0.56) KMT2AMEN1CASP3SENP8SENP7
SCHEMBL7485300 0.77 DDIT3 (0.52) KMT2AMEN1CASP3SENP8SENP7
SCHEMBL7483060 0.76 RAB9A (0.56) KMT2AMEN1CASP3SENP8SENP7
SCHEMBL7482987 0.75 RAB9A (0.54) KMT2AMEN1CASP3SENP8SENP7

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1064273-B1 1,3,4-THIADIAZOLES USEFUL FOR THE TREATMENT OF CMV INFECTIONS UPJOHN CO (US) 2002-12-18 EP claimed
US-6150385-A VIRICIDE WITH ACTIVITY AGAINST CYTOMEGALO VIRUS (CMV), HERPES VIRUS INCLUDING VARICELLA ZOSTER VIRUS, THE EPSTEIN-BARR VIRUS, THE HERPES SIMPLEX VIRUS, AND THE HUMAN HERPES VIRUS TYPE 8 (HHV-8) PHARMACIA & UPJOHN COMPANY (US) 2000-11-21 US claimed
EP-1064273-B1 1,3,4-THIADIAZOLES USEFUL FOR THE TREATMENT OF CMV INFECTIONS UPJOHN CO (US) 2002-12-18 EP disclosed