SCHEMBL7779064

SCHEMBL7779064

C=CC(=O)N(C)c1cccc(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 1/20 0.54
HTR3B O95264 1/20 0.54
HTR3A P46098 1/20 0.54
HTR3D Q70Z44 1/20 0.54
HTR3C Q8WXA8 1/20 0.54
BCL2A1 Q16548 1/20 0.53
HSD17B1 P14061 2/20 0.44
HSD17B2 P37059 2/20 0.44
KMT2A Q03164 3/20 0.43
BTK Q06187 3/20 0.43
MAPT P10636 3/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
TP53 P04637 2/20 0.42
GPBAR1 Q8TDU6 1/20 0.41
FGFR4 P22455 1/20 0.41
MEN1 O00255 2/20 0.40
LMNA P02545 2/20 0.40

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
SCHEMBL6629827 0.82 HTR3E (0.61) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL15088204 0.81 ALDH1A1 (0.53) HSD17B1HSD17B2BTKALDH1A1FGFR4
SCHEMBL19890630 0.81 HSD17B1 (0.51) HSD17B1HSD17B2BTKTP53LMNA
SCHEMBL11756402 0.80 BTK (0.46) BTKGPBAR1
SCHEMBL29989323 0.80 BTK (0.46) BCL2A1BTKALDH1A1FGFR4
SCHEMBL15974825 0.80 BTK (0.46) BCL2A1BTKALDH1A1FGFR4
SCHEMBL10194675 0.79 BCL2A1 (0.49) BCL2A1MAPTALDH1A1HPGDGPBAR1
SCHEMBL31715773 0.79 HTR3E (0.61) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL2096198 0.79 HTR3E (0.61) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL2096196 0.79 HTR3E (0.61) HTR3EHTR3BHTR3AHTR3DHTR3C

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1124795-A1 INHIBITORS OF THE EGF-RECEPTOR TYROSINE KINASE AND THEIR USE Parker Hughes Institute (US) 2001-08-22 EP disclosed
WO-2000056703-A1 INHIBITORS OF THE EGF-RECEPTOR TYROSINE KINASE AND THEIR USE PARKER HUGHES INSTITUTE (US) 2000-09-28 WO disclosed