SCHEMBL31416652

SCHEMBL31416652

COC(=O)c1c(F)cc(Br)c(=O)n1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KDM4E B2RXH2 2/20 0.43
HSD17B10 Q99714 1/20 0.43
TSHR P16473 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.40
MAPK10 P53779 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP2D6 P10635 1/20 0.40
PPARG P37231 1/20 0.40
KMT2A Q03164 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
NCOR2 Q9Y618 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
PDE3B Q13370 1/20 0.40

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
SCHEMBL25309806 0.76 HSD17B10 (0.48) ALDH1A1L3MBTL1KDM4EHSD17B10TSHR
SCHEMBL22219659 0.74 NOTUM (0.49) ALDH1A1L3MBTL1KDM4EHSD17B10TSHR
SCHEMBL4142059 0.72 KMT2A (0.46) ALDH1A1L3MBTL1KDM4EHSD17B10TSHR
SCHEMBL29756215 0.72 CYP1A2 (0.38) ALDH1A1KDM4EHSD17B10TSHRNPSR1
SCHEMBL28217233 0.71 ALDH1A1 (0.39) ALDH1A1L3MBTL1KDM4EHSD17B10TSHR
SCHEMBL391750 0.71 ALDH1A1 (0.43) ALDH1A1L3MBTL1KDM4EHSD17B10TSHR
SCHEMBL12503146 0.70 SMN1; SMN2 (0.42) ALDH1A1L3MBTL1KDM4EHSD17B10TSHR
SCHEMBL19086540 0.69 HIF1A (0.45) ALDH1A1KDM4ESMN1; SMN2KMT2A
SCHEMBL388159 0.69 MAP2K1 (0.50)
SCHEMBL709908 0.68 SOS1 (0.47) ALDH1A1L3MBTL1KDM4EHSD17B10TSHR

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
WO-2025051216-A1 CYP11A1 INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF 深圳众格生物科技有限公司 2025-03-13 WO disclosed