SCHEMBL13203344

SCHEMBL13203344

Cc1c(-c2cc(-c3ccccc3)cc(-c3ccccc3)n2)c(C)c(-c2cc(-c3ccccc3)cc(-c3ccccc3)n2)c(C)c1-c1cc(-c2ccccc2)cc(-c2ccccc2)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 8/20 0.54
▸ KMT2A Q03164 8/20 0.54
▸ ALDH1A1 P00352 4/20 0.52
▸ MAPT P10636 4/20 0.52
▸ RAB9A P51151 3/20 0.52
▸ KDM4E B2RXH2 2/20 0.52
▸ POLB P06746 1/20 0.52
▸ PKM P14618 1/20 0.52
▸ CYP19A1 P11511 1/20 0.52
▸ ADORA1 P30542 2/20 0.47
▸ ADORA3 P0DMS8 1/20 0.47
▸ ADORA2B P29275 1/20 0.47
▸ SQOR Q9Y6N5 1/20 0.47
▸ TDP1 Q9NUW8 2/20 0.46
▸ HPGD P15428 2/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ TSHR P16473 1/20 0.46
▸ ATM Q13315 1/20 0.46
▸ ADORA2A P29274 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL13776834 0.91 MEN1 (0.56) MEN1KMT2AALDH1A1MAPTRAB9A
SCHEMBL13203119 0.88 MEN1 (0.55) MEN1KMT2AALDH1A1MAPTRAB9A
SCHEMBL13203118 0.88 MEN1 (0.55) MEN1KMT2AALDH1A1MAPTRAB9A
SCHEMBL960513 0.85 CYP19A1 (0.65) MEN1KMT2AALDH1A1MAPTRAB9A
SCHEMBL13203336 0.83 CYP19A1 (0.55) MEN1KMT2AALDH1A1MAPTRAB9A
SCHEMBL13203147 0.83 MEN1 (0.55) MEN1KMT2AALDH1A1MAPTRAB9A
SCHEMBL19860206 0.83 CYP19A1 (0.63) MEN1KMT2AALDH1A1MAPTRAB9A
SCHEMBL10051447 0.83 CYP19A1 (0.63) MEN1KMT2AALDH1A1MAPTRAB9A
SCHEMBL13203187 0.83 CYP19A1 (0.63) MEN1KMT2AALDH1A1MAPTRAB9A
SCHEMBL13203116 0.83 CYP19A1 (0.63) MEN1KMT2AALDH1A1MAPTRAB9A

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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