SCHEMBL11099111

SCHEMBL11099111

O=C(O)Cc1c(Cl)nc(-c2ccc([N+](=O)[O-])cc2)n1Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 6/20 0.52
▸ CFTR P13569 1/20 0.48
▸ PTGDR2 Q9Y5Y4 1/20 0.47
▸ PLA2G2A P14555 1/20 0.45
▸ KDM4E B2RXH2 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ TBXA2R P21731 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ MITF O75030 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ HTT P42858 1/20 0.43

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
SCHEMBL11166536 0.95 PTGDR2 (0.49) ARCFTRPTGDR2PLA2G2AKDM4E
SCHEMBL5330156 0.88 AR (0.57) ARCFTRPLA2G2AKDM4EKMT2A
SCHEMBL5327493 0.87 AR (0.52) ARCFTRKDM4EKMT2AALDH1A1
SCHEMBL8954292 0.87 ALDH1A1 (0.49) PTGDR2KDM4EKMT2AALDH1A1MEN1
SCHEMBL11093449 0.84 ALDH1A1 (0.48) PLA2G2AKDM4EKMT2AALDH1A1MEN1
SCHEMBL7049490 0.84 DCTPP1 (0.42) ARCFTRPTGDR2PLA2G2AALDH1A1
SCHEMBL11094843 0.84 PTGDR2 (0.52) ARCFTRPTGDR2PLA2G2AKDM4E
SCHEMBL11092145 0.84 LMNA (0.43) CFTRPLA2G2AKDM4EKMT2AALDH1A1
SCHEMBL6227119 0.83 ALDH1A1 (0.43) PLA2G2AKMT2AALDH1A1MEN1
SCHEMBL5331858 0.83 AR (0.48) ARCFTRKDM4EKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-56071074-A — — None — — JP disclosed
EP-0028834-B1 IMIDAZOLE-5-ACETIC ACID DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1984-01-18 — — EP disclosed
US-4355040-A Hypotensive imidazole-5-acetic acid derivatives TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1982-10-19 — — US disclosed
JP-S5671074-A 1,2-DISUBSTITUTED-4-HALOGENOIMIDAZOLE-5-ACETIC ACID DERIVATIVE TAKEDA CHEM IND LTD 1981-06-13 — — JP disclosed
EP-0028834-A1 Imidazole-5-acetic acid derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1981-05-20 — — EP disclosed
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