SCHEMBL20625905

SCHEMBL20625905

c1ccc(-c2cc(-c3cccc(-c4ccc5c(c4)S(c4ccccc4)(c4ccccc4)c4ccccc4N5c4ccccc4)c3)nc(-c3ccccc3)n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 9/20 0.40
▸ KMT2A Q03164 9/20 0.40
▸ HPGD P15428 8/20 0.40
▸ ALDH1A1 P00352 7/20 0.40
▸ MAPT P10636 6/20 0.40
▸ KDM4E B2RXH2 4/20 0.40
▸ LMNA P02545 2/20 0.40
▸ GLA P06280 1/20 0.40
▸ NTSR1 P30989 1/20 0.39
▸ MAOB P27338 3/20 0.37
▸ MAOA P21397 2/20 0.37
▸ ADORA2A P29274 1/20 0.34
▸ ADORA1 P30542 1/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL19071919 0.92 MEN1 (0.33) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL19072230 0.91 MEN1 (0.42) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL20964262 0.88 MEN1 (0.39) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL13833067 0.81 MEN1 (0.49) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL20964164 0.81 ALDH1A1 (0.34) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL22522876 0.81 L3MBTL1 (0.37) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL22484956 0.80 PDE6D (0.38) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL22871622 0.79 L3MBTL1 (0.35) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL13833084 0.76 MEN1 (0.43) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL20625909 0.76 MEN1 (0.43) MEN1KMT2AHPGDALDH1A1MAPT

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
US-10177312-B2 Compounds for electronic devices MERCK PATENT GMBH (DE) 2019-01-08 — — US disclosed
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