SCHEMBL9211760

SCHEMBL9211760

Cc1nn2c(=O)c(CCO)c(C)[nH]c2c1C#N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4D Q6B0I6 1/20 0.42
▸ KDM4E B2RXH2 5/20 0.41
▸ PLAT P00750 1/20 0.40
▸ UPP1 Q16831 4/20 0.37
▸ HPGD P15428 5/20 0.36
▸ CYP2C19 P33261 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ FPR1 P21462 1/20 0.36
▸ KDM5A P29375 1/20 0.36
▸ ALDH1A1 P00352 6/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ GAA P10253 3/20 0.35
▸ APOBEC3G Q9HC16 2/20 0.33
▸ GLA P06280 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ APAF1 O14727 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ NOD2 Q9HC29 1/20 0.33

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
SCHEMBL16048098 0.88 KDM4D (0.43) KDM4DKDM4EPLATHPGDCYP2C19
SCHEMBL16077819 0.85 HPGD (0.47) KDM4DKDM4EPLATHPGDCYP2C19
SCHEMBL16077828 0.79 KDM4E (0.59) KDM4DKDM4EPLATHPGDCYP2C19
SCHEMBL16046971 0.78 KDM4D (0.41) KDM4DKDM4EPLATUPP1HPGD
SCHEMBL5826974 0.76 GAA (0.40) KDM4EHPGDALDH1A1GAAMAPT
SCHEMBL5826703 0.76 GAA (0.37) KDM4EALDH1A1GAAMAPTHTT
SCHEMBL9204181 0.75 KDM4E (0.45) KDM4DKDM4EPLATHPGDKDM5A
SCHEMBL16047451 0.74 KDM4D (0.44) KDM4DKDM4EPLATHPGDCYP2C19
SCHEMBL10438610 0.73 KDM4E (0.40) KDM4EHPGDCYP2C19ALDH1A1HSD17B10
SCHEMBL16077820 0.72 KDM5A (0.43) KDM4DKDM4EPLATHPGDCYP2C19

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-0369145-B1 Pyrrolo[3,2-e]pyrazolo[1,5-a]pyrimidine derivatives and medicines comprising the same POLA CHEM IND INC (JP) 1995-12-27 — — EP disclosed
US-4992442-A Bronchodilator agents POLA CHEMICAL INDUSTRIES INC., JAPAN (JP) 1991-02-12 — — US disclosed
EP-0369145-A2 Pyrrolo[3,2-e]pyrazolo[1,5-a]pyrimidine derivatives and medicines comprising the same POLA CHEMICAL INDUSTRIES INC., JAPAN (JP) 1990-05-23 — — EP disclosed
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