SCHEMBL4010063

SCHEMBL4010063

COCc1nc(-c2ccc(Cl)cc2)nc(C(C)C)c1OC(=O)OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.41
ADORA3 P0DMS8 3/20 0.38
LMNA P02545 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
KDM4E B2RXH2 2/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
MAPT P10636 3/20 0.35
ALDH1A1 P00352 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
GAA P10253 2/20 0.35
HTT P42858 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
THRB P10828 1/20 0.34
SMPD1 P17405 1/20 0.34

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
SCHEMBL4007725 0.89 ADORA3 (0.39) ADORA3LMNASMN1; SMN2KMT2AMEN1
SCHEMBL8038524 0.82 GCGR (0.43) CNR1ADORA3LMNASMN1; SMN2KMT2A
SCHEMBL8032359 0.81 FABP3 (0.43) CNR1ADORA3LMNASMN1; SMN2KMT2A
SCHEMBL4011472 0.79 MAPT (0.39) ADORA3LMNASMN1; SMN2KMT2AMEN1
SCHEMBL4011273 0.79 ADORA3 (0.38) CNR1ADORA3SMN1; SMN2NPC1RAB9A
SCHEMBL4008643 0.75 MAPT (0.46) ADORA3LMNASMN1; SMN2KMT2AMEN1
SCHEMBL4007716 0.75 ADORA3 (0.39) ADORA3LMNASMN1; SMN2KMT2AMEN1
SCHEMBL8024870 0.74 GCGR (0.44) ADORA3LMNASMN1; SMN2KMT2AMEN1
SCHEMBL4010086 0.73 ATM (0.46) CNR1ADORA3LMNASMN1; SMN2KMT2A
SCHEMBL4014250 0.72 MEN1 (0.44) ADORA3LMNASMN1; SMN2KMT2AMEN1

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