SCHEMBL16604954

SCHEMBL16604954

Cc1ccc(N2C(=O)c3c(C)oc(C)c3C2=O)cc1C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.59
▸ MEN1 O00255 5/20 0.59
▸ ALDH1A1 P00352 6/20 0.51
▸ NPSR1 Q6W5P4 4/20 0.51
▸ TSHR P16473 2/20 0.51
▸ MAPK1 P28482 2/20 0.51
▸ NPC1 O15118 2/20 0.51
▸ CASP1 P29466 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ MAPT P10636 5/20 0.45
▸ GAA P10253 1/20 0.45
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ PKM P14618 3/20 0.40
▸ LMNA P02545 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL16604920 0.79 KMT2A (0.59) KMT2AMEN1ALDH1A1NPSR1TSHR
SCHEMBL13405900 0.74 KMT2A (0.62) KMT2AMEN1ALDH1A1NPSR1TSHR
SCHEMBL11866904 0.74 MEN1 (1.00) KMT2AMEN1ALDH1A1NPSR1TSHR
SCHEMBL1164427 0.71 MGLL (0.59) KMT2AMEN1ALDH1A1NPSR1TSHR
SCHEMBL30435094 0.71 MGLL (0.59) KMT2AMEN1ALDH1A1NPSR1TSHR
SCHEMBL11479045 0.69 KMT2A (0.59) KMT2AMEN1ALDH1A1NPSR1TSHR
SCHEMBL6578707 0.68 ALDH1A1 (1.00) KMT2AMEN1ALDH1A1NPSR1TSHR
SCHEMBL17636557 0.66 ALDH1A1 (0.52) KMT2AMEN1ALDH1A1NPSR1TSHR
SCHEMBL12341741 0.65 ALDH1A1 (0.69) KMT2AMEN1ALDH1A1NPSR1TSHR
SCHEMBL15889951 0.65 KMT2A (0.49) KMT2AMEN1ALDH1A1NPSR1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9249257-B2 Copolymer, organic semiconductor material, organic electrical device, photovoltaic module MITSUBISHI CHEMICAL CORPORATION (JP) 2016-02-02 — — US disclosed
US-9212254-B2 — — 2015-12-15 — — US disclosed
US-20150094436-A1 COPOLYMER, ORGANIC SEMICONDUCTOR MATERIAL, ORGANIC ELECTRICAL DEVICE, AND PHOTOVOLTAIC MODULE MITSUBISHI CHEMICAL CORPORATION (JP) 2015-04-02 — — US disclosed
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