SCHEMBL11538229

SCHEMBL11538229

FC(F)(F)c1ccccc1Cn1cccc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.53
ALDH1A1 P00352 6/20 0.53
ATM Q13315 3/20 0.53
KMT2A Q03164 4/20 0.50
IDO1 P14902 2/20 0.48
POLB P06746 1/20 0.47
NPSR1 Q6W5P4 3/20 0.46
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA9 Q16790 1/20 0.45
TDP1 Q9NUW8 5/20 0.44
RECQL P46063 1/20 0.44
GAA P10253 1/20 0.44
AR P10275 1/20 0.43
MEN1 O00255 3/20 0.42
CHRM5 P08912 1/20 0.42
HPGD P15428 1/20 0.41
DAO P14920 1/20 0.41

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
SCHEMBL28178611 0.81 IDO1 (0.46) KDM4EALDH1A1ATMKMT2AIDO1
SCHEMBL28042308 0.77 KDM4E (0.46) KDM4EALDH1A1ATMKMT2AIDO1
SCHEMBL17329111 0.73 IDO1 (0.59) KDM4EALDH1A1ATMKMT2AIDO1
SCHEMBL3647884 0.73 IDO1 (0.59) KDM4EALDH1A1ATMKMT2AIDO1
SCHEMBL31669175 0.73 ALDH1A1 (0.74) KDM4EALDH1A1ATMKMT2APOLB
SCHEMBL15859933 0.73 NR2E1 (0.44) KDM4EALDH1A1ATMKMT2APOLB
SCHEMBL10500678 0.72 ALDH1A1 (0.52) KDM4EALDH1A1KMT2AIDO1POLB
SCHEMBL13436118 0.72 SCN8A (0.54) KDM4EALDH1A1ATMKMT2AIDO1
SCHEMBL6087873 0.72 CDK4 (0.50) KDM4EALDH1A1ATMKMT2APOLB
SCHEMBL31286288 0.72 CYP19A1 (0.53) KDM4EALDH1A1ATMKMT2AIDO1

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-4148907-A ANALGESICS ETABLISSEMENT VIRIDIS (LI) 1979-04-10 US disclosed