SCHEMBL30690118

SCHEMBL30690118

CNc1cc2onc(C)c2cc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 11/20 0.45
MAPT P10636 3/20 0.40
KMT2A Q03164 1/20 0.40
HCAR3 P49019 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTT P42858 1/20 0.38

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
SCHEMBL25282000 0.79 BRD4 (0.42) BRD4MAPTALDH1A1CYP1A2
SCHEMBL30690121 0.79 TSHR (0.44) BRD4MAPTKMT2AALDH1A1CYP1A2
SCHEMBL6589213 0.79 BRD4 (0.44) BRD4MAPTKMT2AALDH1A1HTT
SCHEMBL28912013 0.79 CA12 (0.46) BRD4MAPTALDH1A1
SCHEMBL30896402 0.79 BRD4 (0.42) BRD4MAPTALDH1A1CYP1A2
SCHEMBL28551101 0.76 BRD4 (0.44) BRD4MAPTKMT2AALDH1A1HTT
SCHEMBL30690132 0.73 EDNRA (0.55) BRD4ALDH1A1
SCHEMBL30690136 0.73 BRD4 (0.43) BRD4
SCHEMBL30896376 0.71 DYRK1A (0.38) BRD4MAPTKMT2AALDH1A1HTT
SCHEMBL10981845 0.71 HCAR3 (0.55) MAPTKMT2AHCAR3ALDH1A1CYP1A2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117304205-A Benzimidazole ternary fused ring compound, pharmaceutically acceptable salt thereof and application thereof 中国科学院广州生物医药与健康研究院 2023-12-29 CN disclosed