SCHEMBL12341741

SCHEMBL12341741

COc1ccc(N2C(=O)c3ccc4c5c(ccc(c35)C2=O)C(=O)N(c2ccc(C)c(C)c2)C4=O)cc1C

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.69
▸ MEN1 O00255 4/20 0.69
▸ KMT2A Q03164 4/20 0.69
▸ RAB9A P51151 3/20 0.55
▸ NPSR1 Q6W5P4 2/20 0.55
▸ MAPK1 P28482 2/20 0.55
▸ NPC1 O15118 2/20 0.55
▸ TSHR P16473 1/20 0.55
▸ CASP1 P29466 1/20 0.55
▸ NR1H3 Q13133 2/20 0.43
▸ NR1H2 P55055 1/20 0.43
▸ POLB P06746 2/20 0.43
▸ APAF1 O14727 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
SCHEMBL13400250 0.90 RAB9A (0.60) ALDH1A1MEN1KMT2ARAB9ANPSR1
SCHEMBL20735081 0.79 RAB9A (0.56) ALDH1A1MEN1KMT2ARAB9ANR1H3
SCHEMBL13400255 0.77 MEN1 (0.71) ALDH1A1MEN1KMT2ARAB9ANPSR1
SCHEMBL20735114 0.75 RAB9A (0.52) ALDH1A1MEN1KMT2ARAB9ANR1H3
SCHEMBL20735076 0.75 RAB9A (0.52) ALDH1A1MEN1KMT2ARAB9ANR1H3
SCHEMBL11866904 0.74 MEN1 (1.00) ALDH1A1MEN1KMT2ARAB9ANPSR1
SCHEMBL6676139 0.74 MEN1 (0.68) ALDH1A1MEN1KMT2ARAB9ANPSR1
SCHEMBL13656063 0.71 CLTC (0.45) ALDH1A1MEN1KMT2ANR1H3NR1H2
SCHEMBL6578707 0.71 ALDH1A1 (1.00) ALDH1A1MEN1KMT2ARAB9ANPSR1
SCHEMBL12639210 0.71 ESR1 (0.66) ALDH1A1MEN1KMT2AMAPK1NR1H3

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-8268195-B2 Electrically conductive films formed from dispersions comprising polythiophenes and ether containing polymers AIR PRODUCTS AND CHEMICALS, INC. (US) 2012-09-18 — — US disclosed
US-20100081007-A1 Electrically Conductive Films Formed From Dispersions Comprising Polythiophenes and Ether Containing Polymers AIR PRODUCTS AND CHEMICALS, INC. (US) 2010-04-01 — — US disclosed
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