SCHEMBL31401099

SCHEMBL31401099

C[C@@H]1CN(c2cc3c(c(Cl)n2)COC3)C[C@H](C)O1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.46
KDM4E B2RXH2 6/20 0.43
ALDH1A1 P00352 5/20 0.43
GAA P10253 3/20 0.43
NPSR1 Q6W5P4 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
HPGD P15428 1/20 0.41
LMNA P02545 3/20 0.41
PRKDC P78527 1/20 0.38
MAP3K12 Q12852 1/20 0.34
HTT P42858 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
MEN1 O00255 2/20 0.33
ATM Q13315 1/20 0.33
MAPT P10636 1/20 0.33
PIK3CA P42336 1/20 0.33
LRRK2 Q5S007 1/20 0.32
GAK O14976 1/20 0.32
HIF1A Q16665 1/20 0.32

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
SCHEMBL31401509 0.82 ALDH1A1 (0.45) KMT2AKDM4EALDH1A1GAANPSR1
SCHEMBL31401202 0.77 KMT2A (0.42) KMT2AKDM4EALDH1A1GAANPSR1
SCHEMBL31401420 0.75 ALDH1A1 (0.56) KMT2AKDM4EALDH1A1GAANPSR1
SCHEMBL26604079 0.71 KMT2A (0.55) KMT2AKDM4EALDH1A1GAANPSR1
SCHEMBL26604101 0.71 KMT2A (0.55) KMT2AKDM4EALDH1A1GAANPSR1
SCHEMBL31401169 0.69 ALOX5 (0.31)
SCHEMBL903629 0.69 ALOX5 (0.31)
SCHEMBL29000800 0.67 KMT2A (0.50) KMT2AKDM4EALDH1A1GAANPSR1
SCHEMBL29000802 0.67 KMT2A (0.50) KMT2AKDM4EALDH1A1GAANPSR1
SCHEMBL23477638 0.65 KMT2A (0.51) KMT2AKDM4EALDH1A1GAANPSR1

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
EP-4739682-A1 1,6-NAPHTHRIDINE COMPOUNDS AS SMARCA2 INHIBITORS USEFUL FOR THE TREATMENT OF SMARCA4 DEFICIENT CANCERS Janssen Pharmaceutica NV (BE) 2026-05-13 EP disclosed
WO-2025008058-A1 1,6-NAPHTHRIDINE COMPOUNDS AS SMARCA2 INHIBITORS USEFUL FOR THE TREATMENT OF SMARCA4 DEFICIENT CANCERS JANSSEN PHARMACEUTICA NV (BE) 2025-01-09 WO disclosed