SCHEMBL11729078

SCHEMBL11729078

CCn1c([N+](=O)[O-])cnc1-c1nc2ccccc2n1CCN1CCN(CCO)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.53
▸ CYP2C19 P33261 1/20 0.46
▸ TSHR P16473 3/20 0.45
▸ POLB P06746 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.44
▸ LMNA P02545 2/20 0.44
▸ MAPK1 P28482 2/20 0.44
▸ THRB P10828 1/20 0.44
▸ HRH1 P35367 2/20 0.41
▸ OPRK1 P41145 4/20 0.41
▸ OPRM1 P35372 2/20 0.41
▸ OPRD1 P41143 2/20 0.41
▸ PTGER4 P35408 2/20 0.39
▸ MTOR P42345 1/20 0.39
▸ IRAK1 P51617 1/20 0.39
▸ IRAK4 Q9NWZ3 1/20 0.39
▸ CASP1 P29466 1/20 0.38
▸ CASP7 P55210 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL11726427 0.92 KDM4E (0.42) KDM4EALDH1A1LMNAOPRK1OPRM1
SCHEMBL11723581 0.91 ALDH1A1 (0.48) KDM4ETSHRALDH1A1LMNAMAPK1
SCHEMBL11720882 0.90 ALDH1A1 (0.49) KDM4ECYP2C19TSHRALDH1A1LMNA
SCHEMBL11723365 0.90 ALDH1A1 (0.49) KDM4ECYP2C19TSHRALDH1A1LMNA
SCHEMBL11724257 0.89 LMNA (0.54) KDM4ETSHRPOLBALDH1A1LMNA
SCHEMBL11721756 0.89 ALDH1A1 (0.42) KDM4ETSHRALDH1A1LMNAMAPK1
SCHEMBL11723912 0.87 HRH1 (0.48) KDM4EALDH1A1LMNAHRH1OPRK1
SCHEMBL11725228 0.85 KDM4E (0.40) KDM4EALDH1A1HRH1
SCHEMBL11722066 0.82 LMNA (0.43) KDM4ECYP2C19TSHRALDH1A1LMNA
SCHEMBL11724229 0.81 ALDH1A1 (0.49) KDM4ETSHRALDH1A1LMNAMAPK1

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
US-4053472-A MICROBIOCIDES SCHERING AKTIENGESELLSCHAFT (DT) 1977-10-11 — — US disclosed
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