SCHEMBL14077551

SCHEMBL14077551

CC/N=c1/ccc2c(-c3ccccc3C(=O)O)c3ccc(N(C)CC)cc3oc-2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.40
▸ KMT2A Q03164 4/20 0.40
▸ BLM P54132 3/20 0.40
▸ THRB P10828 2/20 0.40
▸ RECQL P46063 2/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ ABCB1 P08183 1/20 0.40
▸ USP2 O75604 5/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ CASP1 P29466 1/20 0.40
▸ BRCA1 P38398 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ CASP7 P55210 1/20 0.40
▸ FTO Q9C0B1 2/20 0.39
▸ ATM Q13315 2/20 0.39
▸ CFTR P13569 1/20 0.39

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
SCHEMBL14064053 0.93 MEN1 (0.48) MEN1KMT2ABLMTHRBRECQL
SCHEMBL17517217 0.92 TGM2 (0.42) MEN1KMT2ABLMTHRBRECQL
SCHEMBL15100483 0.92 TGM2 (0.42) MEN1KMT2ABLMTHRBRECQL
Hydrochloric Acid SCHEMBL11336327 0.91 TGM2 (0.42) MEN1KMT2ABLMTHRBRECQL
SCHEMBL20862074 0.85 ABCB1 (0.56) MEN1KMT2ABLMTHRBRECQL
SCHEMBL18885465 0.83 MEN1 (0.51) MEN1KMT2ABLMTHRBRECQL
SCHEMBL12103999 0.83 MEN1 (0.43) MEN1KMT2ABLMTDP1ABCB1
SCHEMBL6056220 0.83 ABCB1 (0.43) MEN1KMT2ABLMTHRBRECQL
SCHEMBL12056738 0.83 ABCB1 (0.43) MEN1KMT2ABLMTHRBRECQL
SCHEMBL6056224 0.83 ABCB1 (0.43) MEN1KMT2ABLMTHRBRECQL

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-20080221233-A1 Colour Changing Coating Composition IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 2008-09-11 — — US disclosed
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