SCHEMBL3733232

SCHEMBL3733232

CCc1oc(-c2ccc(CCl)cc2)nc1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TARBP2 Q15633 7/20 0.50
RAB9A P51151 3/20 0.40
KDM4E B2RXH2 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
DGAT1 O75907 1/20 0.39
PDCD4 Q53EL6 1/20 0.38
IKBKB O14920 3/20 0.38
ALDH1A1 P00352 2/20 0.38
TSHR P16473 1/20 0.38
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
HPGD P15428 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 1/20 0.37
STAT3 P40763 1/20 0.37
PPARG P37231 1/20 0.36

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
SCHEMBL3811761 0.87 TARBP2 (0.51) TARBP2RAB9AKDM4ESMN1; SMN2DGAT1
SCHEMBL596762 0.84 TARBP2 (0.52) TARBP2RAB9AKDM4ESMN1; SMN2DGAT1
SCHEMBL6602803 0.83 TARBP2 (0.52) TARBP2SMN1; SMN2DGAT1TSHRPOLB
SCHEMBL3611262 0.78 IKBKB (0.50) TARBP2RAB9AKDM4ESMN1; SMN2IKBKB
SCHEMBL11620466 0.75 IKBKB (0.54) TARBP2RAB9AKDM4EIKBKBALDH1A1
SCHEMBL13685150 0.73 TARBP2 (0.53) TARBP2RAB9AKDM4ESMN1; SMN2PDCD4
SCHEMBL2789114 0.72 TARBP2 (0.50) TARBP2RAB9AKDM4ESMN1; SMN2DGAT1
SCHEMBL4970219 0.72 IKBKB (0.53) RAB9AKDM4ESMN1; SMN2IKBKBALDH1A1
SCHEMBL10265150 0.72 MAPK1 (0.46) TARBP2KDM4ESMN1; SMN2IKBKBALDH1A1
SCHEMBL2490988 0.72 TARBP2 (0.59) TARBP2RAB9AKDM4ESMN1; SMN2ALDH1A1

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-2170875-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS Wyeth LLC (US) 2010-04-07 EP disclosed
WO-2009012252-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2009-01-22 WO disclosed