SCHEMBL10704054

SCHEMBL10704054

COc1cc(Cl)c(C#N)cc1C(=O)NCCNC(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ WNT3A P56704 1/20 0.52
▸ TNKS2 Q9H2K2 1/20 0.52
▸ HTR4 Q13639 4/20 0.43
▸ LMNA P02545 2/20 0.42
▸ HTR3E A5X5Y0 2/20 0.42
▸ HTR3B O95264 2/20 0.42
▸ HTR3A P46098 2/20 0.42
▸ HTR3D Q70Z44 2/20 0.42
▸ HTR3C Q8WXA8 2/20 0.42
▸ SLC22A1 O15245 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ MPO P05164 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ ADRA2A P08913 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ DRD2 P14416 1/20 0.42
▸ ADRA2C P18825 1/20 0.42
▸ DRD4 P21917 1/20 0.42
▸ HTR2A P28223 1/20 0.42
▸ HTR2C P28335 1/20 0.42

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
SCHEMBL10657794 0.88 WNT3A (0.49) WNT3ATNKS2HTR4LMNAHTR3E
SCHEMBL10706257 0.87 WNT3A (0.48) WNT3ATNKS2HTR4LMNAHTR3E
SCHEMBL10653815 0.85 WNT3A (0.48) WNT3ATNKS2LMNARAB9ACFTR
SCHEMBL10712250 0.84 WNT3A (0.55) WNT3ATNKS2HTR4LMNAHTR3E
SCHEMBL10658698 0.84 WNT3A (0.55) WNT3ATNKS2HTR4LMNAHTR3E
SCHEMBL10658307 0.84 WNT3A (0.51) WNT3ATNKS2HTR4LMNAHTR3E
Hydrochloric Acid SCHEMBL10657811 0.84 WNT3A (0.52) WNT3ATNKS2HTR4LMNAHTR3E
SCHEMBL10704060 0.84 WNT3A (0.52) WNT3ATNKS2HTR4LMNAHTR3E
SCHEMBL10706254 0.83 WNT3A (0.48) WNT3ATNKS2HTR4LMNAHTR3E
Hydrochloric Acid SCHEMBL10707023 0.82 WNT3A (0.47) WNT3ATNKS2HTR4LMNAHTR3E

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 4 patents. 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
EP-0183190-A1 Benzamides and salts CIBA-GEIGY AG (CH) 1986-06-04 — — EP claimed
EP-0183190-B1 BENZAMIDES AND SALTS CIBA-GEIGY AG (CH) 1988-12-28 — — EP disclosed
EP-0183190-A1 Benzamides and salts CIBA-GEIGY AG (CH) 1986-06-04 — — EP disclosed
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