SCHEMBL10080459

SCHEMBL10080459

O=C(O)c1cc2ccc(Cl)cc2c2cc(C(F)(F)F)ccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPL P40238 1/20 0.48
GRIK1 P39086 2/20 0.48
DHODH Q02127 3/20 0.45
MPO P05164 1/20 0.45
ALDH1A1 P00352 5/20 0.44
HPGD P15428 4/20 0.44
HSD17B10 Q99714 3/20 0.44
KDM4E B2RXH2 2/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
CYP1A2 P05177 1/20 0.43
ALOX12 P18054 1/20 0.43
TMPRSS4 Q9NRS4 2/20 0.42
P2RX1 P51575 1/20 0.42
P2RX4 Q99571 1/20 0.42
P2RX7 Q99572 1/20 0.42
KDM1A O60341 1/20 0.42
PTGES O14684 1/20 0.42
ALOX5 P09917 1/20 0.42
CYP2C9 P11712 1/20 0.42

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
SCHEMBL27707925 0.89 TMPRSS4 (0.42) MPLGRIK1DHODHMPOHPGD
SCHEMBL29534764 0.82 ALDH1A1 (0.45) GRIK1DHODHMPOALDH1A1HPGD
SCHEMBL8635085 0.82 ALDH1A1 (0.45) GRIK1DHODHMPOALDH1A1HPGD
SCHEMBL10080476 0.81 MEN1 (0.61) MPLGRIK1DHODHMPOALDH1A1
SCHEMBL1758231 0.78 MEN1 (0.66) GRIK1DHODHALDH1A1HPGDHSD17B10
SCHEMBL8037442 0.72 ALDH1A1 (0.58) MPLGRIK1ALDH1A1HPGDHSD17B10
SCHEMBL8051763 0.72 ALDH1A1 (0.54) MPLGRIK1DHODHALDH1A1HPGD
SCHEMBL4294298 0.71 KDM4E (0.51) GRIK1DHODHALDH1A1HPGDHSD17B10
SCHEMBL3902553 0.71 GRIK1 (0.59) GRIK1DHODHMPOALDH1A1HPGD
SCHEMBL29978987 0.71 GRIK1 (0.59) GRIK1DHODHMPOALDH1A1HPGD

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-2012019106-A2 POSITIVE AND NEGATIVE MODULATORS OF NMDA RECEPTORS BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 2012-02-09 WO disclosed