SCHEMBL17021844

SCHEMBL17021844

Cc1ccc2c(c1-c1c(C)c(C#N)cc(C#N)c1C)CCCN2C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.38
▸ MAPT P10636 3/20 0.38
▸ GAA P10253 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ CASP1 P29466 5/20 0.37
▸ KDM4E B2RXH2 4/20 0.37
▸ HSD17B10 Q99714 4/20 0.37
▸ GLA P06280 1/20 0.37
▸ ALOX15 P16050 4/20 0.36
▸ CASP7 P55210 4/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ TSHR P16473 3/20 0.34
▸ L3MBTL1 Q9Y468 3/20 0.34
▸ USP2 O75604 1/20 0.34

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
SCHEMBL17021848 0.82 ALDH1A1 (0.37) ALDH1A1MAPTGAAHPGDKMT2A
SCHEMBL17021851 0.78 CYP11B1 (0.41) ALDH1A1MAPTGAAHPGDKMT2A
SCHEMBL17021946 0.77 CYP11B2 (0.48) ALDH1A1MAPTGAAHPGDKMT2A
SCHEMBL2095934 0.73 ALDH1A1 (0.41) ALDH1A1MAPTGAAHPGDKMT2A
SCHEMBL17021954 0.72 ALDH1A1 (0.40) ALDH1A1MAPTGAAHPGDKMT2A
SCHEMBL14745262 0.65 ALDH1A1 (0.55) ALDH1A1MAPTGAAHPGDKMT2A
SCHEMBL11934151 0.64 ALDH1A1 (0.36) ALDH1A1MAPTGAAHPGDKMT2A
SCHEMBL434992 0.63 ALDH1A1 (0.62) ALDH1A1MAPTGAAHPGDKMT2A
SCHEMBL8276444 0.63 NOTUM (0.50) ALDH1A1MAPTGAAHPGDKMT2A
SCHEMBL12476484 0.62 GSK3A (0.47) ALDH1A1MAPTGAAHPGDKMT2A

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
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