SCHEMBL9649536

SCHEMBL9649536

CC(C)(C)NC(=O)C(O)c1cc(Cl)nc(C#N)c1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.38
▸ TBXA2R P21731 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ FFAR2 O15552 1/20 0.31
▸ MDM4 O15151 1/20 0.30
▸ MDM2 Q00987 1/20 0.30
▸ APEX1 P27695 1/20 0.30

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
SCHEMBL9648823 0.85 S1PR2 (0.39) POLBKDM4EALDH1A1MDM2APEX1
SCHEMBL24027424 0.71 KDM4E (0.35) POLBKDM4ENPC1ALDH1A1RAB9A
SCHEMBL9648721 0.68 LMNA (0.35) POLBKDM4EALDH1A1SMN1; SMN2APEX1
SCHEMBL9649347 0.67 LMNA (0.38) POLBKDM4EALDH1A1SMN1; SMN2APEX1
SCHEMBL29185132 0.66 EGLN2 (0.44) —
SCHEMBL9640678 0.65 GLS (0.48) ALDH1A1SMN1; SMN2
SCHEMBL31703152 0.65 ALDH1A1 (0.46) POLBKDM4EALDH1A1SMN1; SMN2
SCHEMBL20579147 0.65 KDM4E (0.37) KDM4ENPC1ALDH1A1SMN1; SMN2
SCHEMBL27951542 0.64 S1PR2 (0.36) POLBKDM4EALDH1A1APEX1
SCHEMBL9646921 0.64 EIF2S1 (0.40) POLBKDM4EALDH1A1SMN1; SMN2APEX1

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-0244728-B1 USE OF HETEROARYLETHYL AMINES TO STIMULATE ANIMAL GROWTH, HETEROARYLETHYL AMINES AND PROCESS FOR THEIR PREPARATION BAYER AG (DE) 1992-11-11 — — EP disclosed
EP-0244728-A2 Use of heteroarylethyl amines to stimulate animal growth, heteroarylethyl amines and process for their preparation BAYER AG (DE) 1987-11-11 — — EP disclosed
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