SCHEMBL31649448

SCHEMBL31649448

O=[N+]([O-])c1ccc(C=Cc2cnc3cccc(Cl)c3n2)o1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 13/20 0.44
▸ MEN1 O00255 12/20 0.44
▸ NPC1 O15118 8/20 0.44
▸ MAPT P10636 7/20 0.44
▸ POLB P06746 6/20 0.44
▸ ALDH1A1 P00352 6/20 0.44
▸ LMNA P02545 6/20 0.44
▸ HTT P42858 6/20 0.44
▸ NPSR1 Q6W5P4 6/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ HSP90AA1 P07900 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ RAB9A P51151 8/20 0.42
▸ SMN1; SMN2 Q16637 5/20 0.42
▸ L3MBTL1 Q9Y468 5/20 0.41
▸ MITF O75030 3/20 0.41
▸ TDP1 Q9NUW8 2/20 0.40

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
SCHEMBL31649115 0.83 KMT2A (0.52) KMT2AMEN1NPC1MAPTPOLB
SCHEMBL31649390 0.82 KMT2A (0.43) KMT2AMEN1NPC1MAPTPOLB
SCHEMBL31649441 0.75 KMT2A (0.43) KMT2AMEN1NPC1MAPTPOLB
SCHEMBL31649345 0.74 KMT2A (0.56) KMT2AMEN1NPC1MAPTPOLB
SCHEMBL31649454 0.72 KMT2A (0.38) KMT2AMEN1NPC1MAPTPOLB
SCHEMBL31649237 0.72 NPC1 (0.58) KMT2AMEN1NPC1MAPTPOLB
SCHEMBL31649466 0.71 KMT2A (0.52) KMT2AMEN1NPC1MAPTPOLB
SCHEMBL28433360 0.71 KMT2A (0.61) KMT2AMEN1NPC1MAPTPOLB
SCHEMBL28433359 0.71 KMT2A (0.61) KMT2AMEN1NPC1MAPTPOLB
SCHEMBL3993540 0.70 KMT2A (0.51) KMT2AMEN1NPC1MAPTPOLB

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
WO-2025132831-A1 N-HETEROARYL DERIVATIVES AND USES THEREOF FOR TREATING CANCER UNIVERSITE D'AIX-MARSEILLE (FR) 2025-06-26 — — WO claimed
WO-2025132831-A1 N-HETEROARYL DERIVATIVES AND USES THEREOF FOR TREATING CANCER UNIVERSITE D'AIX-MARSEILLE (FR) 2025-06-26 — — WO disclosed
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