SCHEMBL7541568

SCHEMBL7541568

O=[N+]([O-])c1cc(Cl)ccc1NC1CCCCC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 3/20 0.64
WNK1 Q9H4A3 2/20 0.63
MAPT P10636 6/20 0.60
ALDH1A1 P00352 5/20 0.60
LMNA P02545 5/20 0.60
MAPK1 P28482 2/20 0.60
KMT2A Q03164 5/20 0.58
MEN1 O00255 4/20 0.58
L3MBTL1 Q9Y468 4/20 0.55
SMN1; SMN2 Q16637 3/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
CRHBP P24387 1/20 0.52
CRHR2 Q13324 1/20 0.52
POLB P06746 1/20 0.52
HPGD P15428 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
GPR55 Q9Y2T6 1/20 0.52
PSMD14 O00487 1/20 0.52
TDP1 Q9NUW8 1/20 0.51

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
SCHEMBL2728614 0.92 HCAR3 (0.64) HCAR3WNK1MAPTALDH1A1LMNA
SCHEMBL8884398 0.88 ALDH1A1 (0.58) HCAR3WNK1MAPTALDH1A1LMNA
SCHEMBL3874975 0.88 ALDH1A1 (0.58) HCAR3WNK1MAPTALDH1A1LMNA
SCHEMBL17675674 0.87 HCAR3 (0.55) HCAR3WNK1MAPTALDH1A1LMNA
SCHEMBL8885726 0.87 ALDH1A1 (0.59) HCAR3WNK1MAPTALDH1A1LMNA
SCHEMBL7187183 0.86 HCAR3 (0.60) HCAR3WNK1MAPTALDH1A1LMNA
SCHEMBL7187179 0.86 HCAR3 (0.60) HCAR3WNK1MAPTALDH1A1LMNA
SCHEMBL28280101 0.86 MAPT (0.57) HCAR3WNK1MAPTALDH1A1LMNA
Bromide SCHEMBL11509451 0.85 HCAR3 (0.52) HCAR3WNK1MAPTALDH1A1LMNA
SCHEMBL18808024 0.85 HCAR3 (0.52) HCAR3WNK1MAPTALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0799224-B1 QUINOXALINES AND DRUGS PREPARED THEREFROM BASF AG (DE) 2002-04-17 EP disclosed
US-5852017-A 2,3(1H,4H)-quinoxalinediones BASF AKTIENGESELLSCHAFT (DE) 1998-12-22 US disclosed
US-5849743-A Quinoxalines and drugs prepared therefrom BASF AKTIENGESELLSCHAFT (DE) 1998-12-15 US disclosed
US-5714489-A 2,3(1H,4H)quinoxalinedione BASF AKTIENGESELLSCHAFT (DE) 1998-02-03 US disclosed
EP-0799224-A1 NOVEL QUINOXALINES AND DRUGS PREPARED THEREFROM BASF AKTIENGESELLSCHAFT (DE) 1997-10-08 EP disclosed
WO-1996019476-A1 NOVEL QUINOXALINES AND DRUGS PREPARED THEREFROM BASF AKTIENGESELLSCHAFT (DE) 1996-06-27 WO disclosed
EP-0572852-A1 Quinoxalin-2,3(1H,4H)-diones used as medicine BASF Aktiengesellschaft (DE) 1993-12-08 EP disclosed