SCHEMBL19554193

SCHEMBL19554193

O=C(O)c1ccc2cc(C(F)F)ccc2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.50
RARA P10276 4/20 0.49
RARB P10826 4/20 0.49
RARG P13631 4/20 0.49
MRGPRX4 Q96LA9 2/20 0.48
GRIN2D O15399 1/20 0.47
GRIN2A Q12879 1/20 0.47
GRIN2B Q13224 1/20 0.47
GRIN2C Q14957 1/20 0.47
PTPN1 P18031 1/20 0.46
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
ENPP2 Q13822 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
AKR1C3 P42330 5/20 0.41
AKR1C2 P52895 5/20 0.41
PTGS2 P35354 3/20 0.41
PTGS1 P23219 2/20 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
SCHEMBL8081677 0.85 KDM4E (0.55) KDM4ERARARARBRARGMRGPRX4
SCHEMBL11468438 0.84 KDM4E (0.46) KDM4ERARARARBRARGMRGPRX4
SCHEMBL7907125 0.82 RARB (0.54) KDM4ERARARARBRARGGRIN2D
SCHEMBL11463895 0.81 AKR1C3 (0.63) KDM4ERARARARBRARGAKR1C3
SCHEMBL20178615 0.81 KDM4E (0.51) KDM4ERARARARBRARGGRIN2D
SCHEMBL18758 0.81 KDM4E (0.68) KDM4ERARARARBRARGGRIN2D
SCHEMBL29594563 0.81 KDM4E (0.68) KDM4ERARARARBRARGGRIN2D
SCHEMBL29359975 0.81 KDM4E (0.68) KDM4ERARARARBRARGGRIN2D
SCHEMBL6916181 0.81 KDM4E (0.68) KDM4ERARARARBRARGGRIN2D
SCHEMBL19774287 0.80 KDM4E (0.50) KDM4ERARARARBRARGGRIN2D

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
WO-2017192304-A1 ARYLCARBOXAMIDES AND USES THEREOF INCEPTION 1, INC. (US) 2017-11-09 WO disclosed