SCHEMBL7080320

SCHEMBL7080320

O=C(NCc1nc2ccccc2[nH]1)c1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.73
SMN1; SMN2 Q16637 5/20 0.72
RAB9A P51151 3/20 0.67
POLB P06746 3/20 0.67
TSHR P16473 4/20 0.67
RECQL P46063 1/20 0.67
MAPK10 P53779 3/20 0.66
KMT2A Q03164 2/20 0.63
KDM4E B2RXH2 3/20 0.62
ALDH1A1 P00352 2/20 0.62
HTT P42858 2/20 0.62
GAA P10253 1/20 0.62
NPC1 O15118 1/20 0.58
PKM P14618 1/20 0.58
MAOB P27338 1/20 0.58
ADORA2A P29274 1/20 0.58
HSD17B10 Q99714 1/20 0.58
THRB P10828 1/20 0.57
SLC40A1 Q9NP59 1/20 0.57

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
SCHEMBL13212063 0.89 SMN1; SMN2 (0.73) MAPTSMN1; SMN2RAB9APOLBTSHR
SCHEMBL14025800 0.88 MAPT (0.66) MAPTSMN1; SMN2RAB9APOLBTSHR
SCHEMBL13762092 0.87 MAPT (0.67) MAPTSMN1; SMN2RAB9APOLBTSHR
SCHEMBL13766443 0.87 MAPT (0.67) MAPTSMN1; SMN2RAB9APOLBTSHR
SCHEMBL305355 0.86 POLB (0.64) MAPTSMN1; SMN2RAB9APOLBTSHR
SCHEMBL13405884 0.86 TSHR (0.83) MAPTSMN1; SMN2POLBTSHRRECQL
Hydrochloric Acid SCHEMBL27826900 0.85 POLB (0.63) MAPTSMN1; SMN2RAB9APOLBTSHR
SCHEMBL14025813 0.85 SLC40A1 (0.66) MAPTSMN1; SMN2RAB9APOLBTSHR
SCHEMBL7360532 0.84 MAPT (0.61) MAPTSMN1; SMN2RAB9APOLBTSHR
SCHEMBL6531634 0.84 SMN1; SMN2 (0.63) MAPTSMN1; SMN2RAB9APOLBTSHR

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
EP-1322620-A1 BENZIMIDAZOLE AND INDOLE DERIVATIVES AS CRF RECEPTOR MODULATORS Neurogen Corporation (US) 2003-07-02 EP disclosed
WO-2002028839-A1 BENZIMIDAZOLE AND INDOLE DERIVATIVES AS CRF RECEPTOR MODULATORS NEUROGEN CORPORATION (US) 2002-04-11 WO disclosed