SCHEMBL10874271

SCHEMBL10874271

CC(C)(C)C(=Cn1ccnc1)c1ccc(Cl)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
CYP3A4 P08684 3/20 0.42
GABRA1 P14867 3/20 0.42
GABRG2 P18507 3/20 0.42
GABRB3 P28472 3/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
ADRA2C P18825 2/20 0.39
IDO1 P14902 2/20 0.39
ADORA3 P0DMS8 2/20 0.39
CHRM1 P11229 2/20 0.39
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
ADRA1A P35348 2/20 0.39
SLC6A3 Q01959 2/20 0.39
CYP19A1 P11511 1/20 0.39
PGR P06401 1/20 0.39
CHRM2 P08172 1/20 0.39

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
SCHEMBL10874268 1.00 MAPT (0.44) MAPTCYP3A4GABRA1GABRG2GABRB3
Hydrochloric Acid SCHEMBL10875461 0.99 MAPT (0.43) MAPTCYP3A4GABRA1GABRG2GABRB3
Hydrochloric Acid SCHEMBL10875457 0.99 MAPT (0.43) MAPTCYP3A4GABRA1GABRG2GABRB3
Nitric Acid SCHEMBL10874977 0.92 MAPT (0.46) MAPTCYP3A4GABRA1GABRG2GABRB3
Nitric Acid SCHEMBL10874973 0.92 MAPT (0.46) MAPTCYP3A4GABRA1GABRG2GABRB3
Hydrochloric Acid SCHEMBL10917952 0.88 LMNA (0.40) MAPTCYP3A4GABRA1GABRG2GABRB3
Hydrochloric Acid SCHEMBL10917946 0.88 LMNA (0.40) MAPTCYP3A4GABRA1GABRG2GABRB3
Hydrochloric Acid SCHEMBL10878736 0.82 CYP19A1 (0.36) MAPTCYP3A4ALDH1A1CYP1A2HPGD
Hydrochloric Acid SCHEMBL10878732 0.82 CYP19A1 (0.36) MAPTCYP3A4ALDH1A1CYP1A2HPGD
Hydrochloric Acid SCHEMBL10879898 0.82 GABRA1 (0.46) MAPTCYP3A4GABRA1GABRG2GABRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0049913-B1 NEW ETHENYLIMIDAZOLE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM; INTERMEDIATES, USEFUL IN THEIR PREPARATION AND A PROCESS FOR THE PREPARATION THEREOF GIST-BROCADES N.V. (NL) 1986-03-19 EP claimed
EP-0049913-A2 New ethenylimidazole derivatives, processes for their preparation and pharmaceutical compositions containing them; intermediates, useful in their preparation and a process for the preparation thereof GIST-BROCADES N.V. (NL) 1982-04-21 EP claimed
EP-0049913-B1 NEW ETHENYLIMIDAZOLE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM; INTERMEDIATES, USEFUL IN THEIR PREPARATION AND A PROCESS FOR THE PREPARATION THEREOF GIST-BROCADES N.V. (NL) 1986-03-19 EP disclosed