SCHEMBL8916095

SCHEMBL8916095

O=C(N[C]=S)Nc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.64
TP53 P04637 1/20 0.64
EPHX1 P07099 1/20 0.64
TSHR P16473 1/20 0.64
EPHX2 P34913 1/20 0.64
CDK9 P50750 1/20 0.64
CLK4 Q9HAZ1 1/20 0.64
CASP3 P42574 1/20 0.55
SENP7 Q9BQF6 1/20 0.55
MAOA P21397 2/20 0.53
MAOB P27338 2/20 0.53
GAA P10253 3/20 0.53
ALDH1A1 P00352 2/20 0.53
KDM4E B2RXH2 2/20 0.53
RAB9A P51151 4/20 0.52
KMT2A Q03164 4/20 0.52
TAAR1 Q96RJ0 3/20 0.52
NPC1 O15118 3/20 0.52
MEN1 O00255 2/20 0.50
ACP1 P24666 2/20 0.50

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
Diphenylurea SCHEMBL133103 0.79 SMN1; SMN2 (1.00) SMN1; SMN2TP53EPHX1TSHREPHX2
SCHEMBL3264574 0.79 SMN1; SMN2 (0.64) SMN1; SMN2TP53EPHX1TSHREPHX2
SCHEMBL9166334 0.79 SMN1; SMN2 (0.64) SMN1; SMN2TP53EPHX1TSHREPHX2
Diphenylurea SCHEMBL28431956 0.77 SMN1; SMN2 (0.94) SMN1; SMN2TP53EPHX1TSHREPHX2
Diphenylurea SCHEMBL29392345 0.77 SMN1; SMN2 (0.94) SMN1; SMN2TP53EPHX1TSHREPHX2
Diphenylurea SCHEMBL30786615 0.77 SMN1; SMN2 (0.94) SMN1; SMN2TP53EPHX1TSHREPHX2
SCHEMBL11059378 0.77 SMN1; SMN2 (0.94) SMN1; SMN2TP53EPHX1TSHREPHX2
Diphenylurea SCHEMBL3037927 0.77 SMN1; SMN2 (0.94) SMN1; SMN2TP53EPHX1TSHREPHX2
SCHEMBL10401175 0.75 SMN1; SMN2 (0.80) SMN1; SMN2TP53EPHX1TSHREPHX2
SCHEMBL20804375 0.73 SMN1; SMN2 (0.85) 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-5616581-A BACTERICIDES YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1997-04-01 US disclosed