SCHEMBL7568307

SCHEMBL7568307

CC(O)CCc1c[nH]nn1

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.34
ALDH1A1 P00352 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL11473898 0.83
SCHEMBL5014122 0.82
SCHEMBL3954208 0.77 LNPEP (0.31)
SCHEMBL11167350 0.76 HIF1A (0.37)
SCHEMBL7259409 0.74
SCHEMBL5023567 0.72
SCHEMBL12989758 0.71
SCHEMBL6438961 0.71
SCHEMBL22854400 0.71 TYR (0.33) TYRALDH1A1MAPK1
SCHEMBL3954210 0.71 TRPA1 (0.43)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113943296-A Pyrrolopyrimidine derivatives and uses thereof 武汉人福创新药物研发中心有限公司 2022-01-18 CN disclosed
EP-1228050-A1 AZADIOXACYCLOALKENES BASF AKTIENGESELLSCHAFT (DE) 2002-08-07 EP disclosed
WO-2001036399-A1 AZADIOXACYCLOALKENES BASF AKTIENGESELLSCHAFT (DE) 2001-05-25 WO disclosed
EP-0257822-A3 SUBSTITUTED TRIAZOLYL-2-BUTANOL DERIVATIVES AS PLANT GROWTH REGULATING AGENTS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-06-22 EP disclosed
EP-0257822-A2 Substituted triazolyl-2-butanol derivatives as plant growth regulating agents IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-03-02 EP disclosed
US-4359470-A Acylated triazolyl-γ-fluoropinacolyl derivatives and their use as fungicides BAYER AKTIENGESELLSCHAFT (DE) 1982-11-16 US disclosed