SCHEMBL16775508

SCHEMBL16775508

CNc1ccc(NC(=O)c2cc(-c3ccc(C(=O)O)c(C(=O)Nc4ccc(NC)cc4)c3)ccc2C(=O)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.50
▸ DHODH Q02127 2/20 0.48
▸ CYP1A2 P05177 2/20 0.48
▸ SMO Q99835 1/20 0.46
▸ GFER P55789 3/20 0.44
▸ KMT2A Q03164 4/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ NR1H4 Q96RI1 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ ALOX12 P18054 1/20 0.42
▸ PTPN1 P18031 2/20 0.42
▸ HPGD P15428 2/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ STAT1 P42224 1/20 0.42
▸ PKM P14618 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
SCHEMBL13866797 0.88 MEN1 (0.52) ALDH1A1GFERKMT2AMEN1NR1H4
SCHEMBL13870130 0.88 MEN1 (0.52) ALDH1A1GFERKMT2AMEN1NR1H4
SCHEMBL16775509 0.86 ALDH1A1 (0.52) ALDH1A1DHODHCYP1A2GFERKMT2A
SCHEMBL9885179 0.85 MCL1 (0.49) ALDH1A1CYP1A2GFERKMT2AMEN1
SCHEMBL13579197 0.83 ALDH1A1 (0.48) ALDH1A1CYP1A2GFERKMT2AMEN1
SCHEMBL6848412 0.83 ALDH1A1 (0.53) ALDH1A1DHODHCYP1A2SMOGFER
SCHEMBL6852794 0.83 ALDH1A1 (0.53) ALDH1A1DHODHCYP1A2SMOGFER
SCHEMBL6848464 0.83 ALDH1A1 (0.53) ALDH1A1DHODHCYP1A2GFERKMT2A
SCHEMBL6852760 0.83 ALDH1A1 (0.53) ALDH1A1DHODHCYP1A2GFERKMT2A
SCHEMBL23080512 0.82 ALDH1A1 (0.71) ALDH1A1DHODHCYP1A2SMOGFER

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-9052654-B2 Polyamic acid composition, polyimide endless belt, and image forming apparatus FUJI XEROX CO., LTD. (JP) 2015-06-09 — — US disclosed
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