SCHEMBL31401032

SCHEMBL31401032

c1cc2c(c(N3CCOCC3)n1)CCCC2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.47
NOS1 P29475 1/20 0.47
NOS2 P35228 1/20 0.47
HTT P42858 5/20 0.47
LRRK2 Q5S007 1/20 0.46
PRKDC P78527 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
ALDH1A1 P00352 7/20 0.43
KDM4E B2RXH2 5/20 0.43
HPGD P15428 2/20 0.43
GAA P10253 1/20 0.43
HIF1A Q16665 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
LMNA P02545 5/20 0.43
POLB P06746 1/20 0.42
NPSR1 Q6W5P4 2/20 0.42
EEF2K O00418 1/20 0.41
MAPK1 P28482 2/20 0.41
HSD17B10 Q99714 2/20 0.41

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
SCHEMBL5880446 0.78 HTR2C (0.46) LRRK2CYP1A2CYP2C9ALDH1A1KDM4E
SCHEMBL20572118 0.78 LRRK2 (0.45) HTTLRRK2CYP1A2CYP2C9ALDH1A1
SCHEMBL31400781 0.75 NOS3 (0.42) NOS3NOS1NOS2HTTCYP1A2
SCHEMBL25124865 0.74 LRRK2 (0.47) HTTLRRK2CYP1A2CYP2C9ALDH1A1
SCHEMBL10919711 0.71 HTT (0.42) HTTLRRK2PRKDCALDH1A1KDM4E
SCHEMBL12179269 0.70 LRRK2 (0.52) LRRK2CYP1A2CYP2C9ALDH1A1KDM4E
SCHEMBL21921211 0.70 LRRK2 (0.52) LRRK2CYP1A2CYP2C9ALDH1A1KDM4E
SCHEMBL23639194 0.70 PIK3CA (0.46) HTTLRRK2CYP1A2CYP2C9ALDH1A1
SCHEMBL17583342 0.69 KDM4E (0.57) LRRK2CYP1A2CYP2C9ALDH1A1KDM4E
SCHEMBL3436634 0.69 CYP1A2 (0.56) LRRK2CYP1A2CYP2C9ALDH1A1HIF1A

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