SCHEMBL8026684

SCHEMBL8026684

N#Cc1ccc(Cc2nc3cc([N+](=O)[O-])ccc3s2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.44
KCNJ1 P48048 1/20 0.43
KCNH2 Q12809 1/20 0.43
ACP1 P24666 1/20 0.42
HDAC6 Q9UBN7 2/20 0.41
ABCG2 Q9UNQ0 1/20 0.39
ALDH1A1 P00352 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HTT P42858 1/20 0.39
MAPT P10636 3/20 0.38
RAD51 Q06609 1/20 0.38
PDK1 Q15118 1/20 0.38
CYP2C19 P33261 1/20 0.38
CYP19A1 P11511 1/20 0.38
POLB P06746 1/20 0.37
APP P05067 1/20 0.37
MMP2 P08253 1/20 0.37

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
SCHEMBL6633366 0.84 MAPT (0.48) RIPK1ACP1ABCG2ALDH1A1SMN1; SMN2
SCHEMBL3203107 0.84 RIPK1 (0.51) RIPK1ACP1ALDH1A1SMN1; SMN2CYP3A4
SCHEMBL8028354 0.79 HDAC6 (0.44) HDAC6ALDH1A1CYP3A4CYP2C19CYP19A1
SCHEMBL8033087 0.79 ALDH1A1 (0.46) HDAC6ALDH1A1SMN1; SMN2CYP3A4MAPT
SCHEMBL9642062 0.75 RIPK1 (0.55) RIPK1KCNJ1ACP1HDAC6ALDH1A1
SCHEMBL31215568 0.75 RIPK1 (0.52) RIPK1ACP1ALDH1A1SMN1; SMN2CYP3A4
SCHEMBL201882 0.75 RIPK1 (0.52) RIPK1ACP1ALDH1A1SMN1; SMN2CYP3A4
SCHEMBL3910308 0.75 AKR1B1 (0.46) RIPK1ACP1HDAC6ALDH1A1SMN1; SMN2
SCHEMBL8027000 0.74 RIPK1 (0.58) RIPK1KCNJ1KCNH2ABCG2ALDH1A1
SCHEMBL30370212 0.74 APP (0.54) ALDH1A1SMN1; SMN2CYP3A4MAPTCYP2C19

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-1060166-A1 FIVE-MEMBERED, BENZO-CONDENSED HETEROCYCLES USED AS ANTITHROMBOTIC AGENTS Boehringer Ingelheim Pharma KG (DE) 2000-12-20 EP disclosed
US-6114532-A ANTICOAGULANT BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-09-05 US disclosed
WO-1999040072-A1 FIVE-MEMBERED, BENZO-CONDENSED HETEROCYCLES USED AS ANTITHROMBOTIC AGENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 1999-08-12 WO disclosed