SCHEMBL20058336

SCHEMBL20058336

C=CNC(=O)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
▸ TGM2 P21980 1/20 0.59
▸ TAAR1 Q96RJ0 3/20 0.57
▸ CASP3 P42574 1/20 0.55
▸ SENP7 Q9BQF6 1/20 0.55
▸ MAOA P21397 2/20 0.53
▸ MAOB P27338 2/20 0.53
▸ RAB9A P51151 5/20 0.52
▸ NPC1 O15118 4/20 0.52
▸ KMT2A Q03164 4/20 0.52
▸ MEN1 O00255 3/20 0.50
▸ ACP1 P24666 2/20 0.50
▸ SIRT1 Q96EB6 1/20 0.50
▸ NOX1 Q9Y5S8 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
SCHEMBL27599974 0.81 SMN1; SMN2 (0.67) SMN1; SMN2TP53EPHX1TSHREPHX2
Diphenylurea SCHEMBL133103 0.79 SMN1; SMN2 (1.00) SMN1; SMN2TP53EPHX1TSHREPHX2
SCHEMBL17151485 0.79 SMN1; SMN2 (0.64) SMN1; SMN2TP53EPHX1TSHREPHX2
SCHEMBL8916099 0.79 SMN1; SMN2 (0.64) SMN1; SMN2TP53EPHX1TSHREPHX2
SCHEMBL7908202 0.79 SMN1; SMN2 (0.64) SMN1; SMN2TP53EPHX1TSHREPHX2
SCHEMBL14855370 0.79 SMN1; SMN2 (0.64) SMN1; SMN2TP53EPHX1TSHREPHX2
SCHEMBL12994616 0.78 SMN1; SMN2 (0.62) SMN1; SMN2EPHX2CASP3SENP7MAOA
Diphenylurea SCHEMBL29392345 0.77 SMN1; SMN2 (0.94) SMN1; SMN2TP53EPHX1TSHREPHX2
Diphenylurea SCHEMBL28431956 0.77 SMN1; SMN2 (0.94) SMN1; SMN2TP53EPHX1TSHREPHX2
Diphenylurea SCHEMBL3037927 0.77 SMN1; SMN2 (0.94) 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
EP-2793883-B1 TRPM8 ANTAGONISTS DOMPE FARM SPA (IT) 2018-04-18 — — EP disclosed
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