SCHEMBL17021988

SCHEMBL17021988

Cc1cc(C#N)ccc1-c1c(C)cc(N(C)C)cc1C

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 6/20 0.41
CYP11B1 P15538 5/20 0.41
APP P05067 1/20 0.40
EGLN2 Q96KS0 6/20 0.39
OXTR P30559 1/20 0.37
ALDH1A1 P00352 1/20 0.35
CYP2A6 P11509 1/20 0.35
SLC22A12 Q96S37 1/20 0.34
EGLN1 Q9GZT9 1/20 0.34
PDE4A P27815 2/20 0.33
S1PR1 P21453 1/20 0.33

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
SCHEMBL2154193 0.78 CYP11B2 (0.53) CYP11B2CYP11B1EGLN2ALDH1A1CYP2A6
SCHEMBL17021842 0.77 APP (0.40) CYP11B2CYP11B1APPEGLN2ALDH1A1
SCHEMBL3511128 0.71 TTR (0.41) APPALDH1A1CYP2A6
SCHEMBL7634772 0.71 ALDH1A1 (0.48) CYP11B2CYP11B1EGLN2ALDH1A1CYP2A6
SCHEMBL1550258 0.71 ALDH1A1 (0.43) CYP11B2CYP11B1APPEGLN2ALDH1A1
SCHEMBL14926516 0.69 CYP11B2 (0.47) CYP11B2CYP11B1EGLN2ALDH1A1CYP2A6
SCHEMBL27806613 0.69 KIF11 (0.47) CYP11B2CYP11B1EGLN2ALDH1A1CYP2A6
SCHEMBL5370107 0.69 CYP11B2 (0.41) CYP11B2CYP11B1EGLN2ALDH1A1CYP2A6
SCHEMBL13990206 0.69 TSHR (0.48) APPALDH1A1
SCHEMBL23625527 0.68 ALDH1A1 (0.56) CYP11B2CYP11B1EGLN2ALDH1A1CYP2A6

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
WO-2015121241-A1 ORGANIC TADF MOLECULES HAVING STERIC HINDRANCE AT THE DONOR AND AT THE ACCEPTOR FOR OPTOELECTRONIC DEVICES YERSIN, HARTMUT (DE) 2015-08-20 WO disclosed