SCHEMBL10404609

SCHEMBL10404609

O=C(O)c1cc2ccccc2c(Nc2ccc(C(F)(F)F)cc2)c1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.55
POLB P06746 1/20 0.47
GPR35 Q9HC97 1/20 0.47
AKR1C3 P42330 2/20 0.45
AKR1C2 P52895 1/20 0.45
CYP2D6 P10635 1/20 0.45
MAPK8 P45983 1/20 0.45
P2RX1 P51575 1/20 0.44
P2RX3 P56373 1/20 0.44
P2RX4 Q99571 1/20 0.44
P2RX7 Q99572 1/20 0.44
CDC25B P30305 1/20 0.43
TRPV1 Q8NER1 1/20 0.43
GRIK1 P39086 1/20 0.43
CSF1R P07333 1/20 0.43
MAPT P10636 1/20 0.43
GFER P55789 1/20 0.43
NGLY1 Q96IV0 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL10402301 0.83 MCL1 (0.52) MCL1POLBGPR35CYP2D6CDC25B
SCHEMBL10401957 0.80 MCL1 (0.55) MCL1POLBGPR35CYP2D6CSF1R
SCHEMBL10080476 0.74 MEN1 (0.61) MCL1POLBGPR35CYP2D6GRIK1
SCHEMBL24895076 0.74 POLB (0.58) POLBGPR35AKR1C2CYP2D6CDC25B
Anthracene SCHEMBL7269976 0.74 MAPK8 (0.63) AKR1C3AKR1C2MAPK8MAPTGFER
SCHEMBL24283538 0.72 MCL1 (0.61) MCL1P2RX1P2RX3P2RX4P2RX7
SCHEMBL4245559 0.71 MAPK8 (0.67) AKR1C3AKR1C2MAPK8MAPTTAS2R14
SCHEMBL18392237 0.71 MCL1 (1.00) MCL1
SCHEMBL29539796 0.71 MCL1 (1.00) MCL1
SCHEMBL2786936 0.70 MCL1 (0.58) MCL1AKR1C3AKR1C2MAPTTHRB

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-4913997-A PHOTOSENSITIVE LAYER CONTAINING AZO PIGMENTS, HIGH DIRABILITY, MOISTURE RESISTANCE, THERMAL STABILITY MITSUBISHI PAPER MILLS LIMITED (JP) 1990-04-03 US disclosed