SCHEMBL28033337

SCHEMBL28033337

NCc1ccc(-c2[c]cc(F)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 0.54
HRH3 Q9Y5N1 1/20 0.46
TAAR1 Q96RJ0 6/20 0.46
MAOB P27338 3/20 0.41
CYP1A2 P05177 1/20 0.37
ADRB2 P07550 1/20 0.36
ALOX5 P09917 1/20 0.35
LTA4H P09960 1/20 0.35
ABAT P80404 1/20 0.34

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
SCHEMBL27948094 0.82 HRH3 (0.58) LOXL2HRH3TAAR1ADRB2LTA4H
SCHEMBL27741071 0.81 LMNA (0.44) TAAR1MAOB
SCHEMBL359663 0.78 HRH3 (0.46) LOXL2HRH3TAAR1MAOBADRB2
SCHEMBL4415525 0.75 LOXL2 (0.84) LOXL2HRH3TAAR1MAOBCYP1A2
SCHEMBL28089685 0.75 ACHE (0.48) MAOB
SCHEMBL2922472 0.74 ALDH1A1 (0.35) CYP1A2ALOX5
Hydrochloric Acid SCHEMBL20497365 0.73 LOXL2 (0.80) LOXL2HRH3TAAR1MAOBCYP1A2
SCHEMBL27351758 0.73 TAAR1 (0.54) LOXL2HRH3TAAR1MAOBADRB2
SCHEMBL21063 0.72
SCHEMBL8328581 0.71 MAPK14 (0.41) LTA4H

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-104926628-A Method for synthesizing benzil derivative UNIV ZHEJIANG TECHNOLOGY 2015-09-23 CN disclosed