SCHEMBL3787975

SCHEMBL3787975

O=C(OCc1ccc(I)cc1)c1n[nH]c2ncccc2c1=S

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.40
L3MBTL1 Q9Y468 6/20 0.39
RAB9A P51151 4/20 0.39
LMNA P02545 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
MAPK10 P53779 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
TSHR P16473 1/20 0.37
CASP3 P42574 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
POLB P06746 2/20 0.37
MAPT P10636 2/20 0.36
HTT P42858 2/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 2/20 0.35
MAPK1 P28482 1/20 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
SCHEMBL693551 0.88 L3MBTL1 (0.39) PKML3MBTL1RAB9ALMNASMN1; SMN2
SCHEMBL15204263 0.72 RAB9A (0.37) RAB9ALMNASMN1; SMN2MAPK10HSD17B10
SCHEMBL1217220 0.71 KDM4E (0.63) L3MBTL1RAB9ALMNASMN1; SMN2POLB
SCHEMBL29447914 0.71 KDM4E (0.63) L3MBTL1RAB9ALMNASMN1; SMN2POLB
SCHEMBL618089 0.68 POLB (0.58) L3MBTL1RAB9ALMNASMN1; SMN2POLB
SCHEMBL1080763 0.67 KDM4E (0.62) L3MBTL1SMN1; SMN2TDP1POLBHTT
SCHEMBL29732854 0.66 CAMKK2 (0.46) MAPK10HSD17B10ALDH1A1KDM4EMAPK1
SCHEMBL1384475 0.66 CAMKK2 (0.46) MAPK10HSD17B10ALDH1A1KDM4EMAPK1
SCHEMBL28098788 0.66 MAP2K1 (0.41) MAPK10HSD17B10ALDH1A1KMT2AKDM4E
SCHEMBL29623160 0.65 KDM4E (0.47) L3MBTL1MAPK10HSD17B10TDP1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010123716-A1 HETEROCYCLIC FUSED CINNOLINE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME CORP. (US) 2010-10-28 WO disclosed