SCHEMBL31026328

SCHEMBL31026328

Cc1[nH]c2ccccc2c1C(C[N+](=O)[O-])c1ccccc1Cl

nearest known ligand 0.74

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 10/20 0.74
MAPT P10636 5/20 0.65
ALDH1A1 P00352 4/20 0.65
MEN1 O00255 3/20 0.65
KMT2A Q03164 3/20 0.65
KDM4E B2RXH2 1/20 0.65
LMNA P02545 2/20 0.63
ATM Q13315 1/20 0.63
NPSR1 Q6W5P4 1/20 0.63
NPC1 O15118 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.58
GAA P10253 2/20 0.57
VDR P11473 3/20 0.57
CNR2 P34972 1/20 0.51

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
SCHEMBL30995727 0.84 CNR1 (0.77) CNR1MAPTALDH1A1MEN1KMT2A
SCHEMBL31026313 0.80 CNR1 (0.78) CNR1MAPTALDH1A1MEN1KMT2A
SCHEMBL31026326 0.78 MAPT (0.67) CNR1MAPTALDH1A1MEN1KMT2A
SCHEMBL30995728 0.77 CNR1 (0.79) CNR1MAPTALDH1A1MEN1KMT2A
SCHEMBL31026314 0.76 MAPT (0.70) CNR1MAPTALDH1A1MEN1KMT2A
SCHEMBL20394670 0.74 CNR1 (0.79) CNR1CNR2
SCHEMBL20394672 0.74 CNR1 (0.74) CNR1CNR2
SCHEMBL14746612 0.73 VDR (1.00) VDR
SCHEMBL14756599 0.71 VDR (0.74) VDR
SCHEMBL14746042 0.71 VDR (0.58) MAPTVDR

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-118420514-A Method for synthesizing 3- (2-nitro-1-aryl) -1H-indole derivative by using cyclopentadienyl titanium/Bronsted acid in synergistic catalysis mode 宁夏师范学院 2024-08-02 CN disclosed