SCHEMBL29495243

SCHEMBL29495243

Cc1cc(Br)cc(C=O)c1SC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 5/20 0.38
PRKDC P78527 1/20 0.33
LMNA P02545 1/20 0.31
ALDH1A1 P00352 3/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31
TSHR P16473 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
POLB P06746 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
SCHEMBL17769212 1.00 ERN1 (0.38) ERN1PRKDCLMNAALDH1A1CYP1A2
SCHEMBL17769216 0.79 HPGD (0.37) LMNAALDH1A1CYP1A2CYP2C19TSHR
SCHEMBL17769218 0.79 HPGD (0.37) LMNAALDH1A1CYP1A2CYP2C19TSHR
SCHEMBL29495242 0.79 HPGD (0.37) LMNAALDH1A1CYP1A2CYP2C19TSHR
SCHEMBL25768537 0.71 ERN1 (0.47) ERN1PRKDCLMNAALDH1A1CYP1A2
SCHEMBL14877411 0.71 ERN1 (0.47) ERN1PRKDCLMNAALDH1A1CYP1A2
SCHEMBL660309 0.71 ERN1 (0.37) ERN1PRKDCLMNA
SCHEMBL658069 0.70 CYP2A6 (0.38) ERN1PRKDCLMNAALDH1A1TSHR
SCHEMBL1145175 0.70 ERN1 (0.47) ERN1PRKDCLMNAALDH1A1
SCHEMBL28953827 0.69 PRKDC (0.33) PRKDCLMNAALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119431323-A Heterobicyclic amides as CD38 inhibitors 贝林格尔·英格海姆国际有限公司 2025-02-14 CN disclosed
CN-114423753-B Heterobicyclic amides as CD38 inhibitors 里邦医疗公司 2024-09-17 CN disclosed
CN-114423753-A Heterobicyclic amides as CD38 inhibitors 里邦医疗公司 2022-04-29 CN disclosed