SCHEMBL28701181

SCHEMBL28701181

O=C(O)c1cc([N+](=O)[O-])cc2cccc(C(=O)NCCO)c12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.49
▸ NTRK1 P04629 1/20 0.47
▸ NGFR P08138 1/20 0.47
▸ NQO2 P16083 1/20 0.46
▸ MAPT P10636 4/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ CASP1 P29466 1/20 0.44
▸ CASP7 P55210 1/20 0.44
▸ PTPN1 P18031 1/20 0.42
▸ HPGD P15428 2/20 0.42
▸ AKR1C4 P17516 1/20 0.42
▸ AKR1C3 P42330 1/20 0.42
▸ AKR1C2 P52895 1/20 0.42
▸ AKR1C1 Q04828 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ MEN1 O00255 3/20 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
SCHEMBL29402419 1.00 KMT2A (0.49) KMT2ANTRK1NGFRNQO2MAPT
SCHEMBL11428771 0.83 CLTC (0.50) KMT2AMAPTALDH1A1PTPN1AKR1C4
SCHEMBL28933542 0.80 KMT2A (0.48) KMT2ANQO2MAPTALDH1A1HPGD
SCHEMBL29402621 0.80 KMT2A (0.48) KMT2ANQO2MAPTALDH1A1HPGD
SCHEMBL29404940 0.76 ALDH1A1 (0.46) KMT2AMAPTALDH1A1KDM4ECASP1
SCHEMBL28697568 0.76 ALDH1A1 (0.46) KMT2AMAPTALDH1A1KDM4ECASP1
SCHEMBL28691276 0.75 ALDH1A1 (0.42) KMT2AMAPTALDH1A1KDM4EHPGD
SCHEMBL29402417 0.75 ALDH1A1 (0.42) KMT2AMAPTALDH1A1KDM4EHPGD
SCHEMBL3895684 0.75 CLTC (0.46) KMT2AMAPTALDH1A1PTPN1AKR1C4
SCHEMBL23409361 0.74 CLTC (0.47) KMT2AMAPTALDH1A1PTPN1AKR1C4

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
CN-114106341-A Comb copolymer and preparation method and application thereof 广州立邦涂料有限公司 2022-03-01 — — CN claimed
CN-114106341-A Comb copolymer and preparation method and application thereof 广州立邦涂料有限公司 2022-03-01 — — CN disclosed
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