SCHEMBL11095519

SCHEMBL11095519

O=C(O)Cc1c(Cl)nc(-c2ccccc2[N+](=O)[O-])n1Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CFTR P13569 2/20 0.48
▸ MAPT P10636 1/20 0.41
▸ AGTR1 P30556 1/20 0.40
▸ AGTR2 P50052 1/20 0.40
▸ PTGDR2 Q9Y5Y4 1/20 0.40
▸ PLA2G2A P14555 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ CCR2 P41597 1/20 0.39
▸ DCTPP1 Q9H773 1/20 0.39
▸ PIN1 Q13526 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
SCHEMBL7049490 0.84 DCTPP1 (0.42) CFTRMAPTAGTR1AGTR2PTGDR2
SCHEMBL11099111 0.82 AR (0.52) CFTRMAPTPTGDR2PLA2G2AALDH1A1
Hydrochloric Acid SCHEMBL11261373 0.80 AGTR1 (0.42) AGTR1AGTR2PTGDR2PLA2G2A
SCHEMBL11166536 0.80 PTGDR2 (0.49) CFTRAGTR1AGTR2PTGDR2PLA2G2A
SCHEMBL8954292 0.79 ALDH1A1 (0.49) AGTR1AGTR2PTGDR2ALDH1A1
SCHEMBL7902270 0.78 AGTR1 (0.43) AGTR1AGTR2PTGDR2
SCHEMBL11093449 0.75 ALDH1A1 (0.48) AGTR1AGTR2PLA2G2AALDH1A1
SCHEMBL29411951 0.75 CFTR (0.72) CFTRMAPTALDH1A1
SCHEMBL6227119 0.74 ALDH1A1 (0.43) AGTR1AGTR2PLA2G2AALDH1A1
SCHEMBL11090546 0.73 ALDH1A1 (0.54) AGTR1AGTR2PTGDR2ALDH1A1CCR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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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