SCHEMBL24865124

SCHEMBL24865124

COCCn1c(=O)n(C)c2ccc(Nc3ccc(N4CCC(C(F)(F)F)CC4)cc3)cc21

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BCL6 P41182 17/20 0.53
NCOR2 Q9Y618 4/20 0.39
ADRB3 P13945 1/20 0.37
HTR1D P28221 1/20 0.37
ADORA1 P30542 1/20 0.37
OPRM1 P35372 1/20 0.37
SLC6A3 Q01959 1/20 0.37
TMEM97 Q5BJF2 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37

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
SCHEMBL31123241 1.00 BCL6 (0.53) BCL6NCOR2ADRB3HTR1DADORA1
SCHEMBL24865674 0.96 BCL6 (0.49) BCL6NCOR2
SCHEMBL31123223 0.96 BCL6 (0.49) BCL6NCOR2
SCHEMBL31123270 0.86 BCL6 (0.50) BCL6
SCHEMBL24865299 0.86 BCL6 (0.50) BCL6
SCHEMBL24864928 0.85 BCL6 (0.47) BCL6NCOR2ADRB3HTR1DADORA1
SCHEMBL31123263 0.85 BCL6 (0.47) BCL6NCOR2ADRB3HTR1DADORA1
SCHEMBL24865368 0.83 EGFR (0.45) BCL6
SCHEMBL24865769 0.83 BCL6 (0.49) BCL6NCOR2ADRB3HTR1DADORA1
SCHEMBL31123214 0.83 BCL6 (0.49) BCL6NCOR2ADRB3HTR1DADORA1

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
CN-117999259-A Iron death modulators, their preparation and use 维泰瑞隆有限公司 2024-05-07 CN disclosed
WO-2023280296-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF Sironax Ltd. (KY) 2023-01-12 WO disclosed