SCHEMBL5142573

SCHEMBL5142573

COc1ccc(C)cc1S(=O)(=O)N1CCc2[c]ncnc2C1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.56
USP2 O75604 2/20 0.56
GAA P10253 1/20 0.56
TSHR P16473 4/20 0.53
MAPK1 P28482 2/20 0.53
ALDH1A1 P00352 2/20 0.47
PKM P14618 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
RECQL P46063 1/20 0.45
HSD17B10 Q99714 1/20 0.44
LMNA P02545 1/20 0.43
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
MCOLN3 Q8TDD5 1/20 0.42
CCR5 P51681 1/20 0.41

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
SCHEMBL4985509 0.79 KMT2A (0.56) KMT2AUSP2GAATSHRMAPK1
SCHEMBL4985506 0.79 KMT2A (0.50) KMT2AUSP2GAATSHRMAPK1
SCHEMBL5141447 0.73 L3MBTL1 (0.40) KMT2AUSP2TSHRMAPK1ALDH1A1
SCHEMBL5142759 0.73 MEN1 (0.43) KMT2ATSHRMAPK1ALDH1A1PKM
SCHEMBL5142770 0.72 ALDH1A1 (0.48) KMT2ATSHRALDH1A1PKMRAB9A
SCHEMBL5141465 0.72 EPHX2 (0.40) KMT2AGAAALDH1A1PKMMEN1
SCHEMBL14272442 0.70 TSHR (0.48) KMT2AUSP2GAATSHRMAPK1
SCHEMBL13532412 0.70 KMT2A (0.44) KMT2AUSP2GAATSHRMAPK1
SCHEMBL4982944 0.69 KMT2A (0.53) KMT2AUSP2GAATSHRALDH1A1
SCHEMBL4982938 0.69 KMT2A (0.48) KMT2AUSP2TSHRALDH1A1NPC1

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
US-7297700-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2007-11-20 US claimed