SCHEMBL28167261

SCHEMBL28167261

c1ccc2c(c1)ncn2-c1ccc(-n2cnc3ccccc32)nc1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.62
POLB P06746 1/20 0.62
FGFR1 P11362 4/20 0.60
MAPT P10636 1/20 0.56
RAB9A P51151 1/20 0.56
CYP17A1 P05093 1/20 0.54
ROCK1 Q13464 1/20 0.50

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
SCHEMBL30402227 0.83 HTT (0.88) HTTPOLBFGFR1MAPTRAB9A
SCHEMBL3419279 0.83 HTT (0.88) HTTPOLBFGFR1MAPTRAB9A
SCHEMBL10695091 0.81 FGFR1 (0.68) HTTFGFR1CYP17A1
SCHEMBL20603971 0.81 POLB (0.60) HTTPOLBFGFR1MAPTRAB9A
SCHEMBL30419394 0.81 POLB (0.60) HTTPOLBFGFR1MAPTRAB9A
SCHEMBL15552711 0.81 HTT (0.49) HTTFGFR1CYP17A1
SCHEMBL17265639 0.80 POLB (0.58) HTTPOLBFGFR1MAPTRAB9A
SCHEMBL31241183 0.80 POLB (0.67) HTTPOLBFGFR1MAPTRAB9A
SCHEMBL2531256 0.78 HTT (0.78) HTTPOLBFGFR1MAPTRAB9A
SCHEMBL22360751 0.78 POLB (0.55) HTTPOLBFGFR1MAPTRAB9A

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
CN-107141310-A A kind of preparation method and applications of novel antibacterial Zn complex 重庆文理学院 2017-09-08 CN claimed
CN-107141310-A A kind of preparation method and applications of novel antibacterial Zn complex 重庆文理学院 2017-09-08 CN disclosed