SCHEMBL22403065

SCHEMBL22403065

Nc1ccc(C(c2ccc(N)cc2)c2ccccc2C(F)(F)F)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 1/20 0.42
IDO1 P14902 3/20 0.40
TDO2 P48775 1/20 0.40
POLB P06746 2/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
TSHR P16473 1/20 0.38
KIF11 P52732 2/20 0.37
ALDH1A1 P00352 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CNR2 P34972 2/20 0.36
P2RX7 Q99572 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
OPRL1 P41146 1/20 0.35
HSD11B1 P28845 1/20 0.34
MPO P05164 1/20 0.33
CACNA2D1 P54289 1/20 0.33

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
SCHEMBL2390807 0.84 ACP3 (0.56) ACP3IDO1TDO2POLBTSHR
SCHEMBL3923473 0.83 TSHR (0.46) ACP3IDO1TDO2POLBGLA
SCHEMBL8048442 0.77 SLC2A1 (0.42) ACP3IDO1TDO2GAATSHR
SCHEMBL31409208 0.75 IDO1 (0.43) IDO1TDO2GAATSHRALDH1A1
SCHEMBL30602819 0.74 CYP3A4 (0.39) POLBGAATSHRALDH1A1TDP1
SCHEMBL15137354 0.71 ACP3 (0.46) ACP3IDO1TDO2POLBALDH1A1
SCHEMBL31409196 0.71 IDO1 (0.43) IDO1TDO2GAATSHRALDH1A1
SCHEMBL5009566 0.71 TSHR (0.44) ACP3IDO1TDO2GAATSHR
SCHEMBL31409210 0.71 TSHR (0.44) ACP3IDO1TDO2GAATSHR
SCHEMBL21380569 0.71 TSHR (0.40) GAATSHRALDH1A1TDP1L3MBTL1

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-20200283633-A1 COLORING COMPOUND AND THERMAL TRANSFER RECORDING SHEET CANON KABUSHIKI KAISHA (JP) 2020-09-10 US disclosed