SCHEMBL29936639

SCHEMBL29936639

COc1cc(Cl)c(C(=O)C(C)SC#N)cc1C

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
MCL1 Q07820 1/20 0.35
MAPT P10636 5/20 0.34
ALDH1A1 P00352 4/20 0.34
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
RAB9A P51151 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HTT P42858 1/20 0.33
HPGD P15428 1/20 0.32

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
SCHEMBL25871834 1.00 SMN1; SMN2 (0.35) SMN1; SMN2MEN1KMT2AMCL1MAPT
SCHEMBL115839 1.00 SMN1; SMN2 (0.35) SMN1; SMN2MEN1KMT2AMCL1MAPT
SCHEMBL29813282 0.91 MEN1 (0.31) MEN1KMT2AMAPT
SCHEMBL14767358 0.88 ALDH1A1 (0.39) SMN1; SMN2MAPTALDH1A1L3MBTL1KDM4E
SCHEMBL24809655 0.86 TSHR (0.32) MEN1KMT2AMAPT
SCHEMBL23182669 0.85 TSHR (0.31) MEN1KMT2AMAPT
SCHEMBL9999441 0.80 LMNA (0.34) SMN1; SMN2KMT2AMAPTALDH1A1LMNA
SCHEMBL9999181 0.80 HTT (0.41) SMN1; SMN2MAPTALDH1A1KDM4ENPC1
SCHEMBL5453679 0.77 ALDH1A1 (0.39) SMN1; SMN2MEN1KMT2AMAPTALDH1A1
SCHEMBL23486175 0.75 GABRA1 (0.37) MEN1KMT2AALDH1A1KDM4ENPC1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115087647-A Synthetic method for preparing 4- (2-chloro-4-methoxy-5-methylphenyl) -N- [ (1S) -2-cyclopropyl-1- (3-fluoro-4-methylphenyl) ethyl ] -5-methyl-N-prop-2-alkynyl-1, 3-thiazol-2-amine 纽罗克里生物科学有限公司 2022-09-20 CN claimed
CN-114502162-B CRF receptor antagonists and methods of use 纽罗克里生物科学有限公司 2025-03-28 CN disclosed
CN-118252829-A CRF receptor antagonists and methods of use 纽罗克里生物科学有限公司 2024-06-28 CN disclosed
CN-116322668-A Synthetic method for preparing 4- (2-chloro-4-methoxy-5-methylphenyl) -N- [ (1S) -2-cyclopropyl-1- (3-fluoro-4-methylphenyl) ethyl ] -5-methyl-N-prop-2-ynyl-1, 3-thiazol-2-amine 纽罗克里生物科学有限公司 2023-06-23 CN disclosed
CN-116096373-A CRF1 receptor antagonists for the treatment of congenital adrenal hyperplasia 纽罗克里生物科学有限公司 2023-05-09 CN disclosed
EP-4164636-A1 CRF1 RECEPTOR ANTAGONIST FOR THE TREATMENT OF CONGENITAL ADRENAL HYPERPLASIA Neurocrine Biosciences, Inc. (US) 2023-04-19 EP disclosed
CN-115087647-A Synthetic method for preparing 4- (2-chloro-4-methoxy-5-methylphenyl) -N- [ (1S) -2-cyclopropyl-1- (3-fluoro-4-methylphenyl) ethyl ] -5-methyl-N-prop-2-alkynyl-1, 3-thiazol-2-amine 纽罗克里生物科学有限公司 2022-09-20 CN disclosed