SCHEMBL31401249

SCHEMBL31401249

Cc1c([N+](=O)[O-])cc(Br)[n+]([O-])c1Br

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.50
TDP1 Q9NUW8 2/20 0.39
KDM4E B2RXH2 3/20 0.39
MAPT P10636 2/20 0.39
NPC1 O15118 1/20 0.39
S1PR4 O95977 1/20 0.39
S1PR1 P21453 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CCR6 P51684 1/20 0.39
CYP3A4 P08684 3/20 0.38
ALDH1A1 P00352 3/20 0.38
TSHR P16473 5/20 0.37
GPR35 Q9HC97 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
ESPL1 Q14674 2/20 0.35
HSD17B10 Q99714 1/20 0.34
RECQL P46063 1/20 0.34
CTSB P07858 1/20 0.34

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
SCHEMBL19461964 0.75 CYP1A2 (0.40) CYP1A2TDP1KDM4EMAPTNPC1
SCHEMBL31168662 0.75 CYP1A2 (0.40) CYP1A2TDP1KDM4EMAPTNPC1
SCHEMBL5201165 0.71 CYP1A2 (0.61) CYP1A2TDP1KDM4ECCR6CYP3A4
SCHEMBL21644467 0.70 TDP1 (0.48) CYP1A2TDP1KDM4EMAPTNPC1
SCHEMBL2596740 0.70 CYP1A2 (0.46) CYP1A2TDP1KDM4EMAPTNPC1
SCHEMBL21963269 0.70 TDP1 (0.37) CYP1A2TDP1KDM4EMAPTNPC1
SCHEMBL25786786 0.68 CYP1A2 (0.56) CYP1A2TDP1KDM4EMAPTHTT
SCHEMBL942208 0.68 TSHR (0.47) CYP1A2TDP1KDM4EMAPTNPC1
SCHEMBL2100657 0.67 TSHR (0.55) CYP1A2TDP1KDM4EMAPTNPSR1
SCHEMBL10981846 0.67 TSHR (0.55) CYP1A2TDP1MAPTCCR6CYP3A4

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