SCHEMBL13203041

SCHEMBL13203041

Cc1ccccc1-c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4cc(-c5ccc(-c6ccccc6C)cc5)cc(-c5ccccc5)n4)c3)c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP3 O14638 1/20 0.54
▸ ENPP1 P22413 1/20 0.54
▸ MEN1 O00255 4/20 0.50
▸ KMT2A Q03164 4/20 0.50
▸ ADORA1 P30542 4/20 0.45
▸ ADORA3 P0DMS8 3/20 0.45
▸ ADORA2A P29274 3/20 0.45
▸ SQOR Q9Y6N5 1/20 0.44
▸ KDM4E B2RXH2 3/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ POLB P06746 1/20 0.44
▸ PKM P14618 1/20 0.44
▸ CYP19A1 P11511 1/20 0.44
▸ ESR1 P03372 3/20 0.43
▸ ESR2 Q92731 3/20 0.43
▸ HPGD P15428 2/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL13203063 1.00 ENPP3 (0.54) ENPP3ENPP1MEN1KMT2AADORA1
SCHEMBL4402826 0.95 ENPP3 (0.55) ENPP3ENPP1MEN1KMT2AADORA1
SCHEMBL13203269 0.92 ENPP3 (0.48) ENPP3ENPP1MEN1KMT2AADORA1
SCHEMBL18732400 0.90 ENPP3 (0.55) ENPP3ENPP1MEN1KMT2AADORA1
SCHEMBL13203322 0.87 MEN1 (0.46) ENPP3ENPP1MEN1KMT2AADORA1
SCHEMBL12258363 0.86 MEN1 (0.53) ENPP3ENPP1MEN1KMT2AADORA1
SCHEMBL20903904 0.86 ENPP3 (0.47) ENPP3ENPP1MEN1KMT2AADORA1
SCHEMBL28196231 0.86 ENPP3 (0.54) ENPP3ENPP1MEN1KMT2AADORA1
SCHEMBL13203059 0.85 MEN1 (0.55) MEN1KMT2AADORA1ADORA3ADORA2A
SCHEMBL12258342 0.84 MEN1 (0.58) MEN1KMT2AADORA1ADORA3ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7777043-B2 Compound, charge transporting material and organic electroluminescent element MITSUBISHI CHEMICAL CORPORATION (JP) 2010-08-17 — — US disclosed
US-7777043-B2 Compound, charge transporting material and organic electroluminescent element MITSUBISHI CHEMICAL CORPORATION (JP) 2010-08-17 — — US disclosed
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