SCHEMBL10080476

SCHEMBL10080476

O=C(O)c1cc2ccccc2c2cc(C(F)(F)F)ccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
RXFP1 Q9HBX9 1/20 0.61
MPL P40238 1/20 0.48
ALDH1A1 P00352 4/20 0.47
HPGD P15428 4/20 0.47
KDM4E B2RXH2 3/20 0.47
HSD17B10 Q99714 3/20 0.47
SOS1 Q07889 1/20 0.47
GRIK1 P39086 1/20 0.46
CYP1A2 P05177 2/20 0.46
ALOX12 P18054 1/20 0.46
GPR35 Q9HC97 2/20 0.46
MCL1 Q07820 1/20 0.44
POLB P06746 1/20 0.44
TAS2R14 Q9NYV8 3/20 0.44
DHODH Q02127 1/20 0.42
CYP2C19 P33261 2/20 0.42
USP2 O75604 1/20 0.42
CYP2D6 P10635 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
SCHEMBL10080459 0.81 MPL (0.48) MEN1KMT2ARXFP1MPLALDH1A1
SCHEMBL7672350 0.81 NR4A1 (0.52) MEN1KMT2ARXFP1ALDH1A1HPGD
SCHEMBL522958 0.80 MEN1 (0.71) MEN1KMT2ARXFP1ALDH1A1HPGD
SCHEMBL2853503 0.76 MEN1 (1.00) MEN1KMT2ARXFP1ALDH1A1HPGD
SCHEMBL10946505 0.75 MEN1 (0.65) MEN1KMT2ARXFP1ALDH1A1HPGD
SCHEMBL10404609 0.74 MCL1 (0.55) GRIK1GPR35MCL1POLBTAS2R14
SCHEMBL28192328 0.74 KIF11 (0.59) MEN1KMT2AALDH1A1KDM4EHSD17B10
SCHEMBL2845799 0.74 MEN1 (0.63) MEN1KMT2ARXFP1ALDH1A1HPGD
SCHEMBL8635085 0.74 ALDH1A1 (0.45) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL29534764 0.74 ALDH1A1 (0.45) MEN1KMT2AALDH1A1HPGDKDM4E

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