SCHEMBL11697178

SCHEMBL11697178

CN(C)c1ccc(C(=O)Cl)cc1[N+](=O)[O-]

nearest known ligand 0.74

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 4/20 0.74
KDM4E B2RXH2 2/20 0.60
GLA P06280 1/20 0.60
ALDH1A1 P00352 8/20 0.53
MAPT P10636 5/20 0.53
TDP1 Q9NUW8 2/20 0.53
NPSR1 Q6W5P4 1/20 0.53
HTT P42858 1/20 0.53
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
LMNA P02545 3/20 0.51
MAPK1 P28482 3/20 0.51
HPGD P15428 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
TSHR P16473 2/20 0.46
VCAM1 P19320 1/20 0.46
CASP6 P55212 1/20 0.45

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
SCHEMBL2772069 0.85 HCAR3 (1.00) HCAR3KDM4EGLAALDH1A1MAPT
SCHEMBL30503507 0.84 HCAR3 (0.74) HCAR3KDM4EGLAALDH1A1MAPT
Hydrochloric Acid SCHEMBL18339287 0.84 HCAR3 (0.97) HCAR3KDM4EGLAALDH1A1MAPT
SCHEMBL11698331 0.83 HCAR3 (0.76) HCAR3KDM4EGLAALDH1A1MAPT
SCHEMBL1110902 0.81 HCAR3 (0.70) HCAR3KDM4EGLAALDH1A1MAPT
SCHEMBL10692442 0.80 KDM4E (0.76) HCAR3KDM4EGLAALDH1A1MAPT
SCHEMBL4299481 0.79 HCAR3 (0.68) HCAR3KDM4EGLAALDH1A1MAPT
SCHEMBL29492133 0.79 CASP6 (0.69) HCAR3ALDH1A1LMNATSHRVCAM1
SCHEMBL1966463 0.79 CASP6 (0.69) HCAR3ALDH1A1LMNATSHRVCAM1
SCHEMBL4435755 0.79 HCAR3 (0.67) HCAR3KDM4EGLAALDH1A1MAPT

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
US-4052444-A DIAZO COUPLERS FOR MONOAZO DYES HOECHST AKTIENGESELLSCHAFT (DT) 1977-10-04 US disclosed