SCHEMBL10706573

SCHEMBL10706573

CCCNC(C)NC(=O)c1cc(C#N)c(Cl)cc1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ WNT3A P56704 1/20 0.44
▸ TNKS2 Q9H2K2 1/20 0.44
▸ ALDH1A1 P00352 4/20 0.42
▸ TAS1R3 Q7RTX0 5/20 0.38
▸ TAS1R1 Q7RTX1 5/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ HTR4 Q13639 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ HTR3E A5X5Y0 1/20 0.36
▸ SLC22A1 O15245 1/20 0.36
▸ HTR3B O95264 1/20 0.36
▸ MPO P05164 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ ADRA2A P08913 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ DRD2 P14416 1/20 0.36
▸ ADRA2C P18825 1/20 0.36
▸ DRD4 P21917 1/20 0.36
▸ HTR2A P28223 1/20 0.36
▸ HTR2C P28335 1/20 0.36

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
SCHEMBL10653820 0.84 MEN1 (0.44) WNT3ATNKS2TAS1R3TAS1R1SMN1; SMN2
SCHEMBL10704067 0.82 WNT3A (0.44) WNT3ATNKS2ALDH1A1TAS1R3TAS1R1
SCHEMBL10706251 0.81 WNT3A (0.41) WNT3ATNKS2ALDH1A1TAS1R3TAS1R1
SCHEMBL10657794 0.80 WNT3A (0.49) WNT3ATNKS2ALDH1A1TAS1R3TAS1R1
SCHEMBL10704060 0.80 WNT3A (0.52) WNT3ATNKS2ALDH1A1HTR4LMNA
SCHEMBL10704054 0.80 WNT3A (0.52) WNT3ATNKS2ALDH1A1HTR4LMNA
SCHEMBL10704073 0.78 WNT3A (0.47) WNT3ATNKS2ALDH1A1TAS1R3TAS1R1
SCHEMBL10658307 0.76 WNT3A (0.51) WNT3ATNKS2ALDH1A1HTR4LMNA
SCHEMBL10712250 0.75 WNT3A (0.55) WNT3ATNKS2ALDH1A1HTR4LMNA
SCHEMBL10658698 0.75 WNT3A (0.55) WNT3ATNKS2ALDH1A1HTR4LMNA

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-0183190-B1 BENZAMIDES AND SALTS CIBA-GEIGY AG (CH) 1988-12-28 — — EP claimed
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