SCHEMBL31368522

SCHEMBL31368522

Cn1cc(C2CCCN(c3ccccn3)C2)ccc1=O

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 1/20 0.46
GRM1 Q13255 5/20 0.44
GSK3B P49841 1/20 0.42
PRMT5 O14744 1/20 0.41
WDR77 Q9BQA1 1/20 0.41
ALDH1A1 P00352 3/20 0.41
AVPR1A P37288 3/20 0.41
HTT P42858 2/20 0.41
KDM4E B2RXH2 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PROKR1 Q8TCW9 2/20 0.40
MAPT P10636 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL22795449 0.78 ALDH1A1 (0.46) KAT2BGRM1GSK3BALDH1A1AVPR1A
SCHEMBL29676576 0.78 ALDH1A1 (0.46) KAT2BGRM1GSK3BALDH1A1AVPR1A
SCHEMBL22795084 0.78 ALDH1A1 (0.46) KAT2BGRM1GSK3BALDH1A1AVPR1A
SCHEMBL22795445 0.78 ALDH1A1 (0.46) KAT2BGRM1GSK3BALDH1A1AVPR1A
SCHEMBL21341955 0.77 AVPR1A (0.54) ALDH1A1AVPR1AKDM4ECYP1A2CYP3A4
SCHEMBL22545823 0.76 SLC6A2 (0.49) PRMT5WDR77
SCHEMBL19844779 0.74 GRM1 (0.52) KAT2BGRM1ALDH1A1HTTKDM4E
SCHEMBL13572999 0.74 GRM1 (0.52) KAT2BGRM1ALDH1A1HTTKDM4E
SCHEMBL19844773 0.74 GRM1 (0.52) KAT2BGRM1ALDH1A1HTTKDM4E
SCHEMBL23612701 0.70 CREBBP (0.42) PRMT5WDR77HTTKDM4EMAPT

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-4739685-A1 1,6-NAPHTHRIDINE COMPOUNDS AS SMARCA2 INHIBITORS USEFUL FOR THE TREATMENT OF SMARCA4 DEFICIENT CANCERS Janssen Pharmaceutica NV (BE) 2026-05-13 EP claimed
WO-2025008061-A1 1,6-NAPHTHRIDINE COMPOUNDS AS SMARCA2 INHIBITORS USEFUL FOR THE TREATMENT OF SMARCA4 DEFICIENT CANCERS JANSSEN PHARMACEUTICA NV (BE) 2025-01-09 WO claimed