SCHEMBL11679352

SCHEMBL11679352

COC(=N)NC(=O)Nc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.57
TP53 P04637 1/20 0.57
EPHX1 P07099 1/20 0.57
TSHR P16473 1/20 0.57
EPHX2 P34913 1/20 0.57
CDK9 P50750 1/20 0.57
CLK4 Q9HAZ1 1/20 0.57
NPC1 O15118 5/20 0.55
RAB9A P51151 5/20 0.55
KMT2A Q03164 3/20 0.55
MEN1 O00255 2/20 0.55
TAAR1 Q96RJ0 3/20 0.52
CASP3 P42574 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
MAPT P10636 1/20 0.49
MAOA P21397 2/20 0.48
MAOB P27338 2/20 0.48
HSD17B10 Q99714 2/20 0.48
NAPRT Q6XQN6 1/20 0.48
LMNA P02545 1/20 0.46

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
SCHEMBL11773142 0.82 ALDH1A1 (0.58) SMN1; SMN2TP53EPHX1TSHREPHX2
SCHEMBL9505592 0.80 TAS2R38 (0.48) SMN1; SMN2TP53EPHX1TSHREPHX2
SCHEMBL10401175 0.80 SMN1; SMN2 (0.80) SMN1; SMN2TP53EPHX1TSHREPHX2
SCHEMBL11674215 0.78 SMN1; SMN2 (0.57) SMN1; SMN2TP53EPHX1TSHREPHX2
SCHEMBL11238734 0.78 SMN1; SMN2 (0.57) SMN1; SMN2TP53EPHX1TSHREPHX2
SCHEMBL11689139 0.78 EPHX1 (0.58) SMN1; SMN2TP53EPHX1TSHRNPC1
SCHEMBL10734509 0.77 SMN1; SMN2 (0.61) SMN1; SMN2TP53EPHX1TSHREPHX2
SCHEMBL23069093 0.76 RAB9A (0.77) SMN1; SMN2TP53TSHRNPC1RAB9A
SCHEMBL2887905 0.76 NPC1 (0.70) SMN1; SMN2TP53EPHX1TSHREPHX2
SCHEMBL8428905 0.76 SMN1; SMN2 (0.73) SMN1; SMN2TP53EPHX1TSHREPHX2

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
US-4017529-A Herbicidal allophanimidates E. I. DU PONT DE NEMOURS AND COMPANY (US) 1977-04-12 US disclosed