SCHEMBL24865774

SCHEMBL24865774

COc1cc(N2CCC(C(F)(F)F)CC2)ccc1Nc1ccc2c(c1)n(C)c(=O)n2C

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BCL6 P41182 2/20 0.45
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
BRPF1 P55201 1/20 0.40
ALK Q9UM73 8/20 0.40
TP53 P04637 1/20 0.38
TRIM24 O15164 1/20 0.37
PKM P14618 1/20 0.37
DCLK1 O15075 1/20 0.37
MAPK7 Q13164 1/20 0.37
LRRK2 Q5S007 1/20 0.37
PTK2 Q05397 1/20 0.36
MAPK10 P53779 1/20 0.36

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
SCHEMBL31123256 1.00 BCL6 (0.45) BCL6GAASMN1; SMN2BRPF1ALK
SCHEMBL24865299 0.85 BCL6 (0.50) BCL6GAASMN1; SMN2BRPF1TP53
SCHEMBL31123270 0.85 BCL6 (0.50) BCL6GAASMN1; SMN2BRPF1TP53
SCHEMBL30336473 0.85 BCL6 (0.45) BCL6GAASMN1; SMN2TP53
SCHEMBL24865670 0.85 BCL6 (0.45) BCL6GAASMN1; SMN2TP53
SCHEMBL24865015 0.84 BCL6 (0.44) BCL6GAASMN1; SMN2BRPF1TP53
SCHEMBL24865781 0.84 BCL6 (0.47) BCL6GAASMN1; SMN2BRPF1TP53
SCHEMBL24865698 0.82 BCL6 (0.45) BCL6GAASMN1; SMN2BRPF1ALK
SCHEMBL24865486 0.80 BCL6 (0.47) BCL6GAASMN1; SMN2BRPF1TP53
SCHEMBL31123290 0.80 BCL6 (0.47) BCL6GAASMN1; SMN2BRPF1TP53

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