SCHEMBL24865486

SCHEMBL24865486

COc1cc(Nc2ccc3c(c2)n(C)c(=O)n3C)cnc1N1CCC(C(F)(F)F)CC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BCL6 P41182 3/20 0.47
BRPF1 P55201 1/20 0.40
FGFR3 P22607 1/20 0.40
KCNH2 Q12809 1/20 0.40
GAA P10253 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TP53 P04637 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
BRD4 O60885 1/20 0.36
PIK3CA P42336 3/20 0.36
KMT2A Q03164 1/20 0.36
PRKDC P78527 2/20 0.35
KIT P10721 1/20 0.35
TRIM24 O15164 1/20 0.35
PKM P14618 1/20 0.35
MTOR P42345 1/20 0.35
MALT1 Q9UDY8 1/20 0.35

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
SCHEMBL31123290 1.00 BCL6 (0.47) BCL6BRPF1FGFR3KCNH2GAA
SCHEMBL24865177 0.88 BCL6 (0.49) BCL6BRPF1GAASMN1; SMN2TP53
SCHEMBL31123228 0.88 BCL6 (0.49) BCL6BRPF1GAASMN1; SMN2TP53
SCHEMBL24865152 0.88 BCL6 (0.49) BCL6BRPF1GAASMN1; SMN2TP53
SCHEMBL30336132 0.88 BCL6 (0.49) BCL6BRPF1GAASMN1; SMN2TP53
SCHEMBL24865015 0.85 BCL6 (0.44) BCL6BRPF1FGFR3KCNH2GAA
SCHEMBL24865781 0.83 BCL6 (0.47) BCL6BRPF1GAASMN1; SMN2TP53
SCHEMBL31123194 0.82 MAPT (0.51) BCL6GAASMN1; SMN2TP53KDM4E
SCHEMBL24865775 0.82 MAPT (0.51) BCL6GAASMN1; SMN2TP53KDM4E
SCHEMBL24865774 0.80 BCL6 (0.45) BCL6BRPF1GAASMN1; SMN2TP53

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