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SCHEMBL20042482

SCHEMBL20042482

CC1(C)c2c(sc3cc(-c4ccc(/C=C5\C(=O)c6ccccc6C5=C(C#N)C#N)s4)sc23)-c2sc3c4c(sc3c21)-c1sc2cc(-c3ccc(/C=C5\C(=O)c6ccccc6C5=C(C#N)C#N)s3)sc2c1C4(C)C

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ EGFR P00533 1/20 0.33
▸ RET P07949 1/20 0.33
▸ KDR P35968 1/20 0.33
▸ CTRC Q99895 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
SCHEMBL22382788 0.85 KMT2A (0.34) ALDH1A1MAPTTHRBHPGDRECQL
SCHEMBL22382781 0.84 ALDH1A1 (0.31) ALDH1A1MAPTTHRBHPGDRECQL
SCHEMBL21155817 0.83 ALDH1A1 (0.32) ALDH1A1MAPTTHRBHPGDRECQL
SCHEMBL22382825 0.83 — —
SCHEMBL22382807 0.83 — —
SCHEMBL22382785 0.83 — —
SCHEMBL21155801 0.82 KMT2A (0.34) ALDH1A1MAPTTHRBHPGDRECQL
SCHEMBL22382787 0.82 KMT2A (0.34) ALDH1A1MAPTTHRBHPGDRECQL
SCHEMBL21776032 0.81 ALDH1A1 (0.32) ALDH1A1MAPTTHRBHPGDRECQL
SCHEMBL21156757 0.80 ALDH1A1 (0.32) ALDH1A1MAPTTHRBHPGDRECQL

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-2018065350-A1 ORGANIC SEMICONDUCTING COMPOUNDS MERCK PATENT GMBH (DE) 2018-04-12 — — WO disclosed