SCHEMBL14023489

SCHEMBL14023489

C=c1c2cccc(NCC)c2c(=C)c2cccc(NCC)c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.43
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
USP2 O75604 1/20 0.38
CASP1 P29466 1/20 0.38
BRCA1 P38398 1/20 0.38
CASP7 P55210 1/20 0.38
AR P10275 1/20 0.35
GRM5 P41594 1/20 0.33
TSHR P16473 2/20 0.32
RECQL P46063 2/20 0.32
CYP3A4 P08684 1/20 0.32
APP P05067 2/20 0.32
BCHE P06276 2/20 0.32
ACHE P22303 2/20 0.32
UTS2R Q9UKP6 1/20 0.32
CA12 O43570 2/20 0.32
CA4 P22748 2/20 0.32
CA7 P43166 2/20 0.32
CA9 Q16790 2/20 0.32

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
SCHEMBL9067387 0.74 MEN1 (0.42) IDO1MEN1KMT2AUSP2CASP1
SCHEMBL14103296 0.72 IDO1 (0.38) IDO1MEN1KMT2AUSP2AR
SCHEMBL3785895 0.72 FABP4 (0.45) IDO1MEN1KMT2AUSP2CASP1
SCHEMBL29828333 0.71 CA12 (0.60) IDO1MEN1KMT2ATSHRRECQL
SCHEMBL60765 0.71 CA12 (0.60) IDO1MEN1KMT2ATSHRRECQL
SCHEMBL27648630 0.71 CA12 (0.60) IDO1MEN1KMT2ATSHRRECQL
SCHEMBL22620058 0.71 IDO1 (0.48) IDO1TSHRRECQLUTS2RCA12
SCHEMBL14243729 0.71 UTS2R (0.59) IDO1CYP3A4BCHEACHEUTS2R
SCHEMBL2229406 0.71 KDM4E (0.51) IDO1MEN1KMT2AUSP2CASP1
SCHEMBL526384 0.70 IDO1 (0.52) IDO1MEN1KMT2AUSP2CASP1

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-2008142086-A1 IMPROVEMENTS IN RELATION TO ELECTROWETTING ELEMENTS AND OPTICAL DISPLAY DEVICES LIQUAVISTA B.V. (NL) 2008-11-27 WO disclosed