SCHEMBL31346729

SCHEMBL31346729

NCc1cc(F)c(F)cc1CN

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 3/20 0.42
DPP4 P27487 4/20 0.39
TAAR1 Q96RJ0 3/20 0.36
MEN1 O00255 2/20 0.36
RAD52 P43351 2/20 0.36
RECQL P46063 2/20 0.36
KMT2A Q03164 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
GAPDH P04406 1/20 0.36
THRB P10828 1/20 0.36
APEX1 P27695 1/20 0.36
BLM P54132 1/20 0.36
MPO P05164 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
ALOX15 P16050 1/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
AGO2 Q9UKV8 1/20 0.35
HTR2A P28223 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
SCHEMBL620594 0.88 DPP4 (0.46) LOXL2DPP4TAAR1MEN1RAD52
SCHEMBL13527770 0.87 LOXL2 (0.42) LOXL2DPP4TAAR1MEN1RAD52
SCHEMBL31487599 0.87 LOXL2 (0.35) LOXL2DPP4TAAR1MEN1RAD52
SCHEMBL28147905 0.83 LOXL2 (0.37) LOXL2DPP4TAAR1MEN1RAD52
SCHEMBL1764780 0.81 PNMT (0.41) LOXL2DPP4TAAR1HTR2AHTR2C
SCHEMBL13068536 0.81 KDM1A (0.36) LOXL2DPP4TAAR1MPOHTR2A
SCHEMBL2885730 0.78 PNMT (0.38) LOXL2DPP4MEN1RAD52RECQL
SCHEMBL3972407 0.77 LOXL2 (0.37) LOXL2DPP4TAAR1MEN1RAD52
SCHEMBL29673199 0.75 HTR2A (0.50) TAAR1HTR2AHTR2CHTR2B
SCHEMBL20767050 0.75 HTR2A (0.50) TAAR1HTR2AHTR2CHTR2B

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-119119400-A Polymeric Schiff base metal compound and preparation method and application thereof 中国科学院长春应用化学研究所 2024-12-13 CN disclosed