SCHEMBL29528889

SCHEMBL29528889

CC(NC(=O)c1nccs1)C(C)(C)O

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSPA9 P38646 1/20 0.53
ALDH1A1 P00352 1/20 0.47
GRM5 P41594 3/20 0.40
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 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
SCHEMBL29529344 1.00 HSPA9 (0.53) HSPA9ALDH1A1GRM5CASP3SENP8
SCHEMBL29528992 1.00 HSPA9 (0.53) HSPA9ALDH1A1GRM5CASP3SENP8
SCHEMBL20712728 0.82 HSPA9 (0.60) HSPA9ALDH1A1GRM5CASP3SENP8
SCHEMBL25753489 0.75 ALDH1A1 (0.55) HSPA9ALDH1A1GRM5CASP3SENP8
SCHEMBL19520791 0.73 ALDH1A1 (0.49) HSPA9ALDH1A1CASP3SENP8SENP7
SCHEMBL148962 0.72
SCHEMBL8592828 0.70
SCHEMBL29528940 0.70 ALDH1A1 (0.49) HSPA9ALDH1A1GRM5CASP3SENP8
SCHEMBL13101460 0.69 HSPA9 (0.50) HSPA9ALDH1A1CASP3SENP8SENP7
SCHEMBL28662188 0.69 METAP1 (0.50) HSPA9ALDH1A1CASP3SENP8SENP7

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
CN-109415358-B 6-aminopyridin-3-ylthiazoles as ROR gamma t modulators 詹森药业有限公司 2022-04-05 CN disclosed