SCHEMBL24865152

SCHEMBL24865152

Cc1cc(Nc2ccc3c(c2)n(C)c(=O)n3C)cnc1N1CCC(C(F)(F)F)CC1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BCL6 P41182 5/20 0.49
SMN1; SMN2 Q16637 4/20 0.40
GAA P10253 2/20 0.40
PRKDC P78527 2/20 0.39
PIK3CA P42336 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
JAK1 P23458 1/20 0.37
JAK3 P52333 1/20 0.37
DHODH Q02127 2/20 0.37
CDK4 P11802 1/20 0.36
CDK6 Q00534 1/20 0.36
PKM P14618 4/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 3/20 0.36
BRD1 O95696 1/20 0.36
BRPF1 P55201 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HSD17B10 Q99714 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
SCHEMBL30336132 1.00 BCL6 (0.49) BCL6SMN1; SMN2GAAPRKDCPIK3CA
SCHEMBL24865177 0.90 BCL6 (0.49) BCL6SMN1; SMN2GAAKDM4EMAPT
SCHEMBL31123228 0.90 BCL6 (0.49) BCL6SMN1; SMN2GAAKDM4EMAPT
SCHEMBL24865486 0.88 BCL6 (0.47) BCL6SMN1; SMN2GAAPRKDCPIK3CA
SCHEMBL31123290 0.88 BCL6 (0.47) BCL6SMN1; SMN2GAAPRKDCPIK3CA
SCHEMBL24865775 0.85 MAPT (0.51) BCL6SMN1; SMN2GAAKDM4EMAPT
SCHEMBL31123194 0.85 MAPT (0.51) BCL6SMN1; SMN2GAAKDM4EMAPT
SCHEMBL31123303 0.82 BCL6 (0.48) BCL6SMN1; SMN2GAAPRKDCPIK3CA
SCHEMBL24865777 0.82 BCL6 (0.48) BCL6SMN1; SMN2GAAPRKDCPIK3CA
SCHEMBL24865299 0.81 BCL6 (0.50) BCL6SMN1; SMN2GAAPKMLMNA

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