SCHEMBL21332001

SCHEMBL21332001

CCOC(=O)C(C#N)c1ccc(OC)cc1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCZ Q05513 1/20 0.45
KMT2A Q03164 5/20 0.44
GAA P10253 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
MEN1 O00255 2/20 0.44
ALDH1A1 P00352 6/20 0.40
KDM4E B2RXH2 4/20 0.40
HPGD P15428 3/20 0.40
THRB P10828 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
POLB P06746 1/20 0.39
GLA P06280 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CPS1 P31327 3/20 0.38

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
SCHEMBL21342460 0.82 KMT2A (0.44) PRKCZKMT2AGAASMN1; SMN2MEN1
SCHEMBL13848578 0.82 SMN1; SMN2 (0.42) KMT2AGAASMN1; SMN2MEN1ALDH1A1
SCHEMBL16695369 0.81 PDE2A (0.51) KMT2AGAASMN1; SMN2MEN1ALDH1A1
SCHEMBL28616470 0.80 KMT2A (0.47) KMT2AGAASMN1; SMN2MEN1ALDH1A1
SCHEMBL2430950 0.80 MAPT (0.52) KMT2AGAASMN1; SMN2MEN1ALDH1A1
SCHEMBL6522396 0.79 SMN1; SMN2 (0.56) KMT2AGAASMN1; SMN2MEN1ALDH1A1
SCHEMBL20718828 0.79 MAPT (0.43) KMT2AGAASMN1; SMN2MEN1ALDH1A1
SCHEMBL29853528 0.79 MAPT (0.43) KMT2AGAASMN1; SMN2MEN1ALDH1A1
SCHEMBL5040728 0.78 PRKCZ (0.44) PRKCZKMT2AGAAMEN1ALDH1A1
SCHEMBL5040727 0.78 PRKCZ (0.44) PRKCZKMT2AGAAMEN1ALDH1A1

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
WO-2019170904-A1 PIPERIDINES OR PIPERIDONES SUBSTITUTED WITH UREA AND PHENYL Grünenthal GmbH (DE) 2019-09-12 WO disclosed
WO-2019170904-A1 PIPERIDINES OR PIPERIDONES SUBSTITUTED WITH UREA AND PHENYL Grünenthal GmbH (DE) 2019-09-12 WO disclosed