SCHEMBL9682976

SCHEMBL9682976

Sc1nc2nc(Cl)ccc2n1Cc1ccc(Cl)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 2/20 0.40
TNF P01375 1/20 0.40
CXCL8 P10145 1/20 0.40
SOS1 Q07889 1/20 0.40
NOD2 Q9HC29 1/20 0.40
GALR3 O60755 1/20 0.40
NR2F2 P24468 1/20 0.40
RAB9A P51151 1/20 0.40
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37
NPSR1 Q6W5P4 2/20 0.36
HTT P42858 2/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 2/20 0.35
HIF1A Q16665 2/20 0.35
TDP1 Q9NUW8 2/20 0.35

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
SCHEMBL9681986 0.80 NPSR1 (0.50) NOD1TNFCXCL8SOS1NOD2
SCHEMBL9700338 0.75 RAB9A (0.40) NOD1TNFCXCL8SOS1NOD2
SCHEMBL9681953 0.72 TBXA2R (0.59) NOD1TNFCXCL8SOS1NOD2
SCHEMBL9213212 0.71 TBXA2R (0.39) NOD1NOD2KDM4EALDH1A1TBXA2R
SCHEMBL9213206 0.71 TBXA2R (0.42) NOD1MAPTKDM4EHIF1ATDP1
SCHEMBL16818827 0.69 TNF (0.58) TNFGALR3NR2F2RAB9AMAPT
SCHEMBL3675668 0.69 SRC (0.41) TNFMAPTKDM4ENPSR1HTT
SCHEMBL9681816 0.69 TBXA2R (0.71) TBXA2R
SCHEMBL9701321 0.67 TBXA2R (0.53) NOD1TNFCXCL8SOS1NOD2
SCHEMBL17814738 0.65 TNF (0.42) NOD1TNFCXCL8SOS1NOD2

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