SCHEMBL8039244

SCHEMBL8039244

CCc1nc(-c2cccc(C)c2)nc(C(C)C)c1C(=O)OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.42
GCGR P47871 1/20 0.39
KMT2A Q03164 2/20 0.39
KCNT1 Q5JUK3 1/20 0.39
ALDH1A1 P00352 2/20 0.38
RAB9A P51151 1/20 0.38
MAPK14 Q16539 1/20 0.38
GAA P10253 2/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
HEXA P06865 1/20 0.38
HEXB P07686 1/20 0.38
MAPT P10636 3/20 0.37
DHFR P00374 3/20 0.37
THRB P10828 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL4011133 0.87 LDHA (0.41) KMT2AKCNT1RAB9AMAPK14LMNA
SCHEMBL8038540 0.86 GCGR (0.45) HSD17B10GCGRKMT2AALDH1A1RAB9A
SCHEMBL4008747 0.83 KCNT1 (0.38) KMT2AKCNT1ALDH1A1RAB9AMAPK14
SCHEMBL8024870 0.80 GCGR (0.44) GCGRKMT2AALDH1A1RAB9ALMNA
SCHEMBL4011136 0.80 RAB9A (0.38) KMT2AKCNT1RAB9AMAPK14GAA
SCHEMBL5521948 0.73 KDM4E (0.56) HSD17B10KMT2AALDH1A1RAB9AGAA
SCHEMBL4010057 0.72 DPP4 (0.48) GCGRALDH1A1RAB9AGAALMNA
SCHEMBL8038524 0.70 GCGR (0.43) GCGRKMT2AALDH1A1RAB9ALMNA
SCHEMBL8031430 0.70 CNR2 (0.41) KMT2AALDH1A1RAB9ALMNATSHR
SCHEMBL8027046 0.70 ADORA3 (0.41) HSD17B10KMT2AALDH1A1RAB9ALMNA

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-2009080248-A1 SUBSTITUTED 2-PHENYLPYRIMIDINE-5-CARBOXYLIC ACIDS AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-07-02 WO disclosed