SCHEMBL24865639

SCHEMBL24865639

Cn1c(=O)oc2cc(Nc3ccc(N4CCC(C(F)(F)F)CC4)cc3)ccc21

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 1/20 0.43
GABRB3 P28472 1/20 0.43
GABRA5 P31644 1/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
MAPT P10636 2/20 0.41
TP53 P04637 1/20 0.41
LMNA P02545 3/20 0.40
TSHR P16473 2/20 0.40
HPGD P15428 1/20 0.40
BCL6 P41182 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PKM P14618 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL24865740 0.92 BCL6 (0.40) GABRG2GABRB3GABRA5MEN1KMT2A
SCHEMBL24865238 0.87 GABRG2 (0.46) GABRG2GABRB3GABRA5MEN1KMT2A
SCHEMBL31123316 0.87 GABRG2 (0.46) GABRG2GABRB3GABRA5MEN1KMT2A
SCHEMBL24865367 0.85 GABRG2 (0.48) GABRG2GABRB3GABRA5MEN1KMT2A
SCHEMBL30885111 0.82 BCL6 (0.46) MEN1KMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL31123270 0.82 BCL6 (0.50) ALDH1A1SMN1; SMN2TP53LMNABCL6
SCHEMBL24865299 0.82 BCL6 (0.50) ALDH1A1SMN1; SMN2TP53LMNABCL6
SCHEMBL24865459 0.82 BCL6 (0.46) MEN1KMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL24865757 0.81 KDM4E (0.43) GABRG2GABRB3GABRA5MEN1KMT2A
SCHEMBL31123282 0.81 KDM4E (0.43) GABRG2GABRB3GABRA5MEN1KMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023280296-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF Sironax Ltd. (KY) 2023-01-12 WO disclosed