SCHEMBL28575185

SCHEMBL28575185

O=C(COc1ccc([N+](=O)[O-])cc1)N1CCOCC1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.68
▸ KMT2A Q03164 3/20 0.68
▸ HTT P42858 2/20 0.68
▸ MAPK1 P28482 1/20 0.68
▸ RECQL P46063 1/20 0.68
▸ ATM Q13315 1/20 0.68
▸ L3MBTL1 Q9Y468 1/20 0.68
▸ FKBP1A P62942 6/20 0.67
▸ ENPP2 Q13822 3/20 0.67
▸ NPC1 O15118 2/20 0.67
▸ RAB9A P51151 2/20 0.67
▸ POLB P06746 1/20 0.67
▸ KDM4E B2RXH2 2/20 0.63
▸ PKM P14618 1/20 0.63
▸ HPGD P15428 2/20 0.62
▸ USP2 O75604 1/20 0.62
▸ LMNA P02545 1/20 0.60
▸ SMN1; SMN2 Q16637 1/20 0.60

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
SCHEMBL13531595 0.86 KMT2A (0.70) ALDH1A1KMT2AENPP2NPC1RAB9A
SCHEMBL2635694 0.85 FKBP1A (0.66) ALDH1A1KMT2AHTTMAPK1RECQL
SCHEMBL9551409 0.83 RAB9A (0.51) ALDH1A1KMT2AHTTMAPK1RECQL
SCHEMBL15919449 0.80 FKBP1A (0.74) ALDH1A1KMT2AHTTFKBP1APOLB
SCHEMBL13534672 0.80 FKBP1A (0.92) ALDH1A1HTTFKBP1ARAB9APOLB
SCHEMBL2712996 0.80 FKBP1A (0.74) ALDH1A1KMT2AHTTMAPK1RECQL
SCHEMBL8320871 0.80 ALDH1A1 (0.79) ALDH1A1KMT2AHTTFKBP1APOLB
SCHEMBL18425852 0.79 ALDH1A1 (0.67) ALDH1A1KMT2AHTTMAPK1FKBP1A
SCHEMBL4987745 0.79 RECQL (0.67) ALDH1A1KMT2ARECQLPOLBKDM4E
SCHEMBL1115881 0.79 CYP1A2 (0.64) KMT2ANPC1RAB9APOLBKDM4E

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
CN-112759564-A Diaryl urea compound and its preparation method and medicinal use 中国医学科学院药物研究所 2021-05-07 — — CN disclosed
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