SCHEMBL4745633

SCHEMBL4745633

O=C(O)c1ccc(NC(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RCE1 Q9Y256 3/20 0.64
TDP1 Q9NUW8 1/20 0.58
ALDH1A1 P00352 2/20 0.57
TP53 P04637 2/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2C9 P11712 1/20 0.57
HPGD P15428 1/20 0.57
CYP2C19 P33261 1/20 0.57
HIF1A Q16665 1/20 0.57
HSD17B10 Q99714 1/20 0.57
P4HB P07237 1/20 0.57
KDM4E B2RXH2 1/20 0.55
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
TSHR P16473 2/20 0.50
DAO P14920 1/20 0.50
NAPRT Q6XQN6 1/20 0.50
FFAR1 O14842 1/20 0.49
HPGDS O60760 1/20 0.49

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
SCHEMBL11259360 0.83 KDM4E (0.58) RCE1TDP1ALDH1A1HSD17B10KDM4E
SCHEMBL11072398 0.83 ALOX15 (0.61) RCE1ALDH1A1TP53CYP1A2CYP3A4
SCHEMBL2361907 0.80 CFTR (0.63) RCE1TDP1ALDH1A1CYP3A4HSD17B10
SCHEMBL28707659 0.79 KMT2A (0.51) RCE1ALDH1A1TP53CYP1A2CYP3A4
SCHEMBL11228603 0.79 TDP1 (0.50) RCE1TDP1ALDH1A1TP53CYP1A2
SCHEMBL19102660 0.78 TSHR (0.50) RCE1TDP1ALDH1A1TP53KDM4E
SCHEMBL7657652 0.76 POLB (0.76) ALDH1A1CYP3A4CYP2C9KDM4EKMT2A
SCHEMBL1663456 0.75 HCAR3 (0.55) TDP1ALDH1A1TP53CYP3A4HPGD
SCHEMBL29665053 0.75 MAPT (0.52) RCE1TDP1ALDH1A1TP53CYP1A2
SCHEMBL28359204 0.75 KMT2A (0.77) RCE1ALDH1A1KMT2AMEN1

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-2008121570-A1 COMPOUNDS AND METHODS FOR MODULATING G PROTEIN-COUPLED RECEPTORS IRM LLC (BM) 2008-10-09 WO disclosed