SCHEMBL9681986

SCHEMBL9681986

Sc1nc2ncccc2n1Cc1ccc(Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.50
RAB9A P51151 2/20 0.46
TNF P01375 1/20 0.46
CXCL8 P10145 1/20 0.46
SOS1 Q07889 1/20 0.46
NOD2 Q9HC29 1/20 0.46
NOD1 Q9Y239 1/20 0.46
GALR3 O60755 1/20 0.46
NR2F2 P24468 1/20 0.46
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
MAPT P10636 1/20 0.45
NPC1 O15118 1/20 0.45
TP53 P04637 2/20 0.41
S1PR1 P21453 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL9682976 0.80 NOD1 (0.40) NPSR1RAB9ATNFCXCL8SOS1
SCHEMBL9701321 0.78 TBXA2R (0.53) NPSR1RAB9ATNFCXCL8SOS1
SCHEMBL20715514 0.76 NPSR1 (0.45) NPSR1RAB9ATNFCXCL8SOS1
SCHEMBL13508713 0.72 CYP11B1 (0.62) NPSR1TNFKMT2AMEN1MAPT
SCHEMBL9681247 0.72 ENPP2 (0.46) NPSR1KMT2AMEN1MAPTTP53
SCHEMBL32684880 0.70 BRD4 (0.50) NPSR1TNFKMT2AMEN1SMN1; SMN2
SCHEMBL28969544 0.70 HDAC3 (0.59) NPSR1RAB9ATNFCXCL8SOS1
SCHEMBL30995589 0.70 SMN1; SMN2 (0.50) NPSR1RAB9AMAPTNPC1TP53
SCHEMBL22465579 0.70 DRD2 (0.46) NPSR1KMT2ASMN1; SMN2CYP11B1CYP11B2
SCHEMBL9683089 0.69 TBXA2R (0.73) TBXA2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5128359-A Benzimidazole and azabenzimidazole derivatives which are thromboxane receptor antagonists, their methods of preparation LABORATOIRES UPSA (FR) 1992-07-07 US disclosed
US-5021443-A Noval benzimidazole and azabenzimiazole derivatives which are thromboxane receptor antagonists, their methods of preparation and pharmaceutical compositions in which they are present LABORATOIRES UPSA (FR) 1991-06-04 US disclosed