SCHEMBL31649237

SCHEMBL31649237

O=[N+]([O-])c1ccc(C=Cc2ccc3ccccc3n2)o1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 12/20 0.58
▸ RAB9A P51151 11/20 0.58
▸ KMT2A Q03164 11/20 0.58
▸ MEN1 O00255 10/20 0.58
▸ MAPT P10636 8/20 0.58
▸ SMN1; SMN2 Q16637 8/20 0.58
▸ HTT P42858 6/20 0.58
▸ MAPK1 P28482 2/20 0.58
▸ LMNA P02545 8/20 0.53
▸ POLB P06746 6/20 0.53
▸ ALDH1A1 P00352 6/20 0.53
▸ NPSR1 Q6W5P4 3/20 0.53
▸ CYP1A2 P05177 2/20 0.53
▸ CYP2C19 P33261 2/20 0.53
▸ HSP90AA1 P07900 1/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ CYP2D6 P10635 1/20 0.53
▸ CYP2C9 P11712 1/20 0.53
▸ L3MBTL1 Q9Y468 7/20 0.52
▸ KDM4E B2RXH2 5/20 0.52

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
SCHEMBL28427472 0.83 NPC1 (0.48) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL31649420 0.83 POLB (0.49) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL28427470 0.83 NPC1 (0.48) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL31649115 0.83 KMT2A (0.52) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL31649431 0.82 POLB (0.46) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL31649308 0.82 KMT2A (0.43) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL28433359 0.80 KMT2A (0.61) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL28433360 0.80 KMT2A (0.61) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL3993543 0.79 KMT2A (0.51) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL3993540 0.79 KMT2A (0.51) NPC1RAB9AKMT2AMEN1MAPT

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
Send feedback