SCHEMBL24865740

SCHEMBL24865740

Cn1c(=O)oc2ccc(Nc3ccc(N4CCC(C(F)(F)F)CC4)cc3)cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL6 P41182 1/20 0.40
CNR2 P34972 1/20 0.39
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
ALDH1A1 P00352 2/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
JAK1 P23458 1/20 0.35
JAK3 P52333 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
MAPT P10636 2/20 0.35
TP53 P04637 1/20 0.35
IDH1 O75874 1/20 0.35
CREBBP Q92793 1/20 0.35
LMNA P02545 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL24865639 0.92 GABRG2 (0.43) BCL6MEN1KMT2AALDH1A1GABRG2
SCHEMBL31123236 0.87 SMN1; SMN2 (0.43) DDB1CRBNMEN1KMT2AALDH1A1
SCHEMBL24865216 0.87 SMN1; SMN2 (0.43) DDB1CRBNMEN1KMT2AALDH1A1
SCHEMBL24865705 0.87 CNR2 (0.39) BCL6CNR2MEN1KMT2AALDH1A1
SCHEMBL31123296 0.85 GABRG2 (0.39) CNR2DDB1CRBNMEN1KMT2A
SCHEMBL24865369 0.85 GABRG2 (0.39) CNR2DDB1CRBNMEN1KMT2A
SCHEMBL31123312 0.85 CNR2 (0.38) BCL6CNR2MEN1KMT2AMAPT
SCHEMBL29209022 0.85 CNR2 (0.38) BCL6CNR2MEN1KMT2AMAPT
SCHEMBL24865368 0.85 EGFR (0.45) BCL6CNR2ALDH1A1
SCHEMBL24864837 0.85 BCL6 (0.38) BCL6CNR2MEN1KMT2A

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