SCHEMBL9649347

SCHEMBL9649347

CC(=O)OC(C(=O)NC(C)(C)C)c1cc(Cl)nc(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.38
▸ MAPK1 P28482 1/20 0.35
▸ TSHR P16473 1/20 0.34
▸ USP2 O75604 1/20 0.33
▸ S1PR2 O95136 1/20 0.33
▸ GLS O94925 2/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ ALDH1A1 P00352 4/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ SCN9A Q15858 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ APEX1 P27695 1/20 0.31
▸ ALPL P05186 1/20 0.31

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 0.79 S1PR2 (0.39) MAPK1S1PR2ALDH1A1CYP3A4HTT
SCHEMBL9446749 0.79 ALDH1A1 (0.40) LMNAMAPK1TSHRS1PR2GLS
SCHEMBL9650500 0.77 LMNA (0.39) LMNAMAPK1TSHRALDH1A1CYP3A4
SCHEMBL10691888 0.76 ALDH1A1 (0.57) TSHRUSP2GLSSMN1; SMN2ALDH1A1
SCHEMBL9650477 0.75 LMNA (0.35) LMNAMAPK1TSHRCYP3A4KDM4E
SCHEMBL27951542 0.75 S1PR2 (0.36) S1PR2ALDH1A1HTTKDM4ESCN9A
SCHEMBL10770096 0.70 LMNA (0.31) LMNATSHRCYP3A4KDM4EPOLB
SCHEMBL10489095 0.68 ALDH1A1 (0.46) MAPK1SMN1; SMN2ALDH1A1CYP3A4POLB
SCHEMBL15418992 0.68 ACACB (0.35) SCN9A
SCHEMBL1368673 0.67 S1PR2 (0.40) LMNAS1PR2ALDH1A1HTTKDM4E

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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