SCHEMBL366745

SCHEMBL366745

Cc1cccc(NC(N)=O)c1-c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 2/20 0.62
POLB P06746 2/20 0.53
HPGD P15428 5/20 0.49
ALDH1A1 P00352 3/20 0.49
KDM4E B2RXH2 2/20 0.49
FABP3 P05413 1/20 0.49
GAA P10253 1/20 0.49
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
IKBKB O14920 2/20 0.47
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
HSD17B10 Q99714 1/20 0.44
DDX3X O00571 1/20 0.44
GRIN2D O15399 1/20 0.44
GRIN3B O60391 1/20 0.44
GRIN1 Q05586 1/20 0.44
GRIN2A Q12879 1/20 0.44

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
SCHEMBL2760761 0.82 FABP4 (0.55) FABP4POLBHPGDALDH1A1KDM4E
SCHEMBL1467305 0.81 FABP4 (0.56) FABP4KDM4EFABP3GAANPC1
SCHEMBL81434 0.81 POLB (0.75) POLBHPGDALDH1A1KDM4EGAA
SCHEMBL29521664 0.81 POLB (0.75) POLBHPGDALDH1A1KDM4EGAA
SCHEMBL29892467 0.79 MAPT (0.61) POLBALDH1A1KDM4EGAANPC1
SCHEMBL1140606 0.79 MAPT (0.61) POLBALDH1A1KDM4EGAANPC1
Hydrochloric Acid SCHEMBL27918048 0.79 POLB (0.72) POLBHPGDALDH1A1KDM4EGAA
Phosphine SCHEMBL30387635 0.79 POLB (0.72) POLBHPGDALDH1A1KDM4EGAA
SCHEMBL14889779 0.78 POLB (0.56) POLBHPGDALDH1A1KDM4EGAA
SCHEMBL25421397 0.77 CA1 (0.49) KDM4EGAAIKBKB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2593226-A1 PHOSPHINE LIGANDS FOR CATALYTIC REACTIONS Abbvie Inc. (US) 2013-05-22 EP disclosed
WO-2012009698-A1 PHOSPHINE LIGANDS FOR CATALYTIC REACTIONS ABBOTT LABORATORIES (US) 2012-01-19 WO disclosed