SCHEMBL1870832

SCHEMBL1870832

O=C(c1cccs1)N(c1ccccc1)c1cn2ccccc2n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.54
KDM4E B2RXH2 7/20 0.49
RAB9A P51151 5/20 0.49
ALDH1A1 P00352 4/20 0.49
NPC1 O15118 4/20 0.49
KMT2A Q03164 3/20 0.49
MAPT P10636 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
POLB P06746 2/20 0.49
HTT P42858 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
PTGS1 P23219 1/20 0.45
PTGS2 P35354 1/20 0.45
HPGD P15428 4/20 0.44
HSD17B10 Q99714 3/20 0.44
GAA P10253 1/20 0.44
PKM P14618 1/20 0.40
NPSR1 Q6W5P4 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL1876349 0.82 PTGS1 (0.51) TSHRKDM4ERAB9ANPC1MAPT
SCHEMBL1868858 0.80 KDM4E (0.57) TSHRKDM4ERAB9AALDH1A1NPC1
SCHEMBL1871212 0.80 BCL2L1 (0.45) TSHRKDM4ERAB9ANPC1MAPT
SCHEMBL1876442 0.78 PTGS1 (0.53) TSHRKDM4ERAB9AALDH1A1NPC1
SCHEMBL28992360 0.77 CES2 (0.57) TSHRKDM4ERAB9AALDH1A1NPC1
SCHEMBL1878184 0.74 HSD17B10 (0.44) TSHRKDM4ERAB9AALDH1A1NPC1
SCHEMBL1871359 0.73 PTGS1 (0.48) KDM4ERAB9AALDH1A1NPC1MAPT
SCHEMBL1866847 0.73 RAB9A (0.58) KDM4ERAB9AALDH1A1NPC1KMT2A
SCHEMBL1881282 0.72 HSD17B10 (0.40) TSHRKDM4ERAB9AALDH1A1NPC1
Hydrochloric Acid SCHEMBL11840978 0.67 CES2 (0.52) RAB9AALDH1A1NPC1KMT2AMAPT

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-2496574-A1 IMIDAZOPYRIDINES AS A NOVEL SCAFFOLD FOR MULTI-TARGETED KINASE INHIBITION Abbott Laboratories (US) 2012-09-12 EP claimed
WO-2011053476-A1 IMIDAZOPYRIDINES AS A NOVEL SCAFFOLD FOR MULTI-TARGETED KINASE INHIBITION ABBOTT LABORATORIES (US) 2011-05-05 WO claimed