SCHEMBL9080502

SCHEMBL9080502

Cc1nc(-c2ccccc2C(F)(F)F)nc(C(Cl)(Cl)Cl)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 9/20 0.45
CYP2C19 P33261 6/20 0.45
CYP2D6 P10635 5/20 0.45
CLK4 Q9HAZ1 4/20 0.45
CYP2C9 P11712 2/20 0.45
RECQL P46063 1/20 0.45
HSD11B1 P28845 7/20 0.44
CYP3A4 P08684 6/20 0.43
TSHR P16473 3/20 0.43
HSD17B10 Q99714 3/20 0.43
MAPK1 P28482 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
ALDH1A1 P00352 2/20 0.43
ALOX15 P16050 1/20 0.43
HIF1A Q16665 1/20 0.43
CRHR1 P34998 1/20 0.42
USP2 O75604 1/20 0.41
GLA P06280 1/20 0.40
TRPA1 O75762 1/20 0.39
TRPM8 Q7Z2W7 1/20 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
SCHEMBL805590 0.74 HSD11B1 (0.51) CYP1A2CYP2C19CYP2D6CLK4CYP2C9
SCHEMBL805589 0.74 HSD11B1 (0.51) CYP1A2CYP2C19CYP2D6CLK4CYP2C9
SCHEMBL9079576 0.74 L3MBTL1 (0.64) CYP1A2CYP2C19CYP2C9TSHRHSD17B10
SCHEMBL9081785 0.72 LMNA (0.47) KDM4E
SCHEMBL4950134 0.72 HSP90AA1 (0.44) CYP1A2CYP2C19CYP2D6CLK4CYP3A4
SCHEMBL785914 0.71 CYP1A2 (0.49) CYP1A2CYP2C19CYP2D6CLK4CYP2C9
SCHEMBL786243 0.71 KMT2A (0.60) CYP1A2CYP2C19CYP2D6CLK4CYP2C9
SCHEMBL25774981 0.70 L3MBTL1 (0.47) CYP1A2CYP2C19CYP2D6CLK4CYP2C9
SCHEMBL15143913 0.70 IDO1 (0.38) CYP1A2CYP2C19CYP2D6CYP2C9CYP3A4
SCHEMBL9832170 0.69 HSD11B1 (0.54) CYP1A2CYP2C19CYP2D6HSD11B1CYP3A4

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-5489499-A DISCOLORATION INHIBITION, STORAGE STABILITY FUJI PHOTO FILM CO., LTD. (JP) 1996-02-06 US disclosed