SCHEMBL11271609

SCHEMBL11271609

CCC=C(C(=O)c1ccc(Cl)cc1Cl)n1ccnc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.68
CYP19A1 P11511 2/20 0.44
ALDH1A1 P00352 5/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
KMT2A Q03164 1/20 0.43
HTT P42858 1/20 0.43
AHR P35869 1/20 0.43
CYP3A4 P08684 2/20 0.40
POLB P06746 1/20 0.39
THRB P10828 1/20 0.39
RECQL P46063 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ADRB3 P13945 2/20 0.38
ADRA2C P18825 2/20 0.38
PGR P06401 1/20 0.38
CHRM2 P08172 1/20 0.38
HTR1A P08908 1/20 0.38
ADRA2A P08913 1/20 0.38

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
SCHEMBL11271604 1.00 MAPT (0.68) MAPTCYP19A1ALDH1A1MEN1LMNA
SCHEMBL11272165 0.85 MAPT (0.64) MAPTCYP19A1ALDH1A1MEN1LMNA
SCHEMBL11272162 0.85 MAPT (0.64) MAPTCYP19A1ALDH1A1MEN1LMNA
SCHEMBL11298296 0.83 MAPT (0.71) MAPTCYP19A1ALDH1A1MEN1LMNA
SCHEMBL8035724 0.83 MAPT (0.71) MAPTCYP19A1ALDH1A1MEN1LMNA
SCHEMBL21829067 0.83 MAPT (0.71) MAPTCYP19A1ALDH1A1MEN1LMNA
SCHEMBL11268810 0.80 MAPT (0.58) MAPTCYP19A1ALDH1A1MEN1LMNA
SCHEMBL11268812 0.80 MAPT (0.58) MAPTCYP19A1ALDH1A1MEN1LMNA
SCHEMBL11268808 0.80 MAPT (0.58) MAPTCYP19A1ALDH1A1MEN1LMNA
SCHEMBL10946345 0.79 CYP19A1 (0.67) MAPTCYP19A1ALDH1A1MEN1LMNA

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-0048827-A1 Substituted 2,4-dichlorophenyl-imidazolyl-vinyl ketones, processes for their preparation and antimicrobial agents containing these compounds BAYER AG (DE) 1982-04-07 EP disclosed