SCHEMBL31444744

SCHEMBL31444744

CN1C(=O)[C@@H](CCC(=O)OCc2ccccc2)Oc2cc([N+](=O)[O-])ccc21

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.45
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
F2 P00734 4/20 0.42
F10 P00742 3/20 0.42
ALDH1A1 P00352 4/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
PDE1C Q14123 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAPT P10636 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
SCHEMBL31444783 0.80 KMT2A (0.60) ATMKMT2AMEN1ALDH1A1RAB9A
SCHEMBL31444651 0.80 KMT2A (0.60) ATMKMT2AMEN1ALDH1A1RAB9A
SCHEMBL31444777 0.79 ALDH1A1 (0.40) KMT2AMEN1F2F10ALDH1A1
SCHEMBL7475333 0.79 KMT2A (0.46) KMT2AMEN1ALDH1A1MAPT
SCHEMBL9825925 0.73 KMT2A (0.46) KMT2AMEN1F2F10ALDH1A1
SCHEMBL7474357 0.71 CASP1 (0.53) KMT2AMEN1ALDH1A1MAPT
SCHEMBL6745728 0.71 F2 (0.54) KMT2AF2F10ALDH1A1NPC1
SCHEMBL8124801 0.69 CASP1 (0.48) KMT2AMEN1ALDH1A1MAPT
SCHEMBL30806262 0.69 CASP1 (0.52) ATMKMT2AMEN1ALDH1A1HSD17B10
SCHEMBL17434501 0.69 CASP1 (0.46) KMT2AMEN1ALDH1A1MAPT

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-2025096710-A1 MODULATORS OF BCL6 AS LIGAND DIRECTED DEGRADERS BRISTOL-MYERS SQUIBB COMPANY (US) 2025-05-08 WO disclosed