SCHEMBL693551

SCHEMBL693551

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
LMNA P02545 4/20 0.39
RAB9A P51151 3/20 0.39
HSD17B10 Q99714 2/20 0.39
MAPK10 P53779 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
PKM P14618 1/20 0.38
TSHR P16473 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
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 2/20 0.38
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
HTT P42858 1/20 0.37
KDM4E B2RXH2 2/20 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
SCHEMBL3787975 0.88 PKM (0.40) L3MBTL1SMN1; SMN2LMNARAB9AHSD17B10
SCHEMBL618089 0.81 POLB (0.58) L3MBTL1SMN1; SMN2LMNARAB9AKMT2A
SCHEMBL4770342 0.73 KDM4E (0.43) L3MBTL1HSD17B10MAPK10TDP1TSHR
SCHEMBL6338427 0.72 CAMKK2 (0.43) SMN1; SMN2HSD17B10MAPK10ALDH1A1KDM4E
SCHEMBL29447914 0.71 KDM4E (0.63) L3MBTL1SMN1; SMN2LMNARAB9AKMT2A
SCHEMBL1217220 0.71 KDM4E (0.63) L3MBTL1SMN1; SMN2LMNARAB9AKMT2A
SCHEMBL699555 0.71 SMN1; SMN2 (0.38) SMN1; SMN2LMNARAB9AHSD17B10MAPK10
SCHEMBL6286484 0.69 POLB (0.46) L3MBTL1LMNARAB9AKMT2AMEN1
SCHEMBL1080763 0.68 KDM4E (0.62) L3MBTL1SMN1; SMN2TDP1POLBALDH1A1
SCHEMBL28098788 0.67 MAP2K1 (0.41) HSD17B10MAPK10KMT2AALDH1A1KDM4E

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-2421366-A1 HETEROCYCLIC FUSED CINNOLINE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS Merck Sharp & Dohme Corp. (US) 2012-02-29 EP disclosed
WO-2010123716-A1 HETEROCYCLIC FUSED CINNOLINE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME CORP. (US) 2010-10-28 WO disclosed