SCHEMBL6083210

SCHEMBL6083210

c1cc(C[N]Cc2ccncc2)ccn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 0.50
ALDH1A1 P00352 3/20 0.48
CYP1A2 P05177 3/20 0.48
CYP3A4 P08684 3/20 0.48
CYP2D6 P10635 3/20 0.48
CYP2C9 P11712 3/20 0.48
CYP2C19 P33261 3/20 0.48
HSD17B10 Q99714 1/20 0.48
MAPT P10636 3/20 0.42
KDM4E B2RXH2 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HIF1A Q16665 2/20 0.40
CYP19A1 P11511 1/20 0.40
LMNA P02545 1/20 0.40
MEN1 O00255 1/20 0.40
HPGD P15428 1/20 0.40
CCR6 P51684 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HRH1 P35367 2/20 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
SCHEMBL3537228 0.86 MIF (0.45) LOXL2ALDH1A1CYP3A4SMN1; SMN2CYP19A1
SCHEMBL3157505 0.85 LOXL2 (0.42) LOXL2ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL15999464 0.78
SCHEMBL4690967 0.78
SCHEMBL2775045 0.78
SCHEMBL7973571 0.78 LOXL2 (0.37) LOXL2ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL3544721 0.78 CYP19A1 (0.39) LOXL2ALDH1A1CYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL6141097 0.76 LOXL2 (0.44) LOXL2ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL14270175 0.72 LOXL2 (0.41) LOXL2ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL2917458 0.72 MIF (0.61) LOXL2ALDH1A1CYP1A2CYP3A4CYP2D6

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-7071359-B1 Neuropathy improvers containing nitrogenous compounds as the active ingredient TEIJIN LIMITED (JP) 2006-07-04 US disclosed