SCHEMBL16795161

SCHEMBL16795161

CSc1ccc(B2OC(C)(C)C(C)(C)O2)cc1CN1CCCN(C)CC1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.42
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
CHKA P35790 6/20 0.39
CA2 P00918 1/20 0.37
NCF1 P14598 1/20 0.37
PRMT6 Q96LA8 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CHRNA7 P36544 1/20 0.35

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
SCHEMBL16795319 0.93 POLB (0.44) POLBKDM4EALDH1A1TDP1CHKA
SCHEMBL16795392 0.84 KDM4E (0.43) POLBKDM4EALDH1A1TDP1CHKA
SCHEMBL16795211 0.82 POLB (0.46) POLBKDM4EALDH1A1TDP1CHKA
SCHEMBL16121847 0.78 CHKA (0.60) KDM4ECHKACA2NCF1PRMT6
SCHEMBL21565713 0.77 ALDH1A1 (0.42) POLBKDM4EALDH1A1TDP1CHKA
SCHEMBL29725194 0.77 ALDH1A1 (0.42) POLBKDM4EALDH1A1TDP1CHKA
SCHEMBL18579955 0.76 ROCK1 (0.53) POLBKDM4EALDH1A1TDP1CHKA
SCHEMBL16795176 0.76 HTR7 (0.50) POLBKDM4EALDH1A1TDP1CHKA
SCHEMBL34461817 0.73 ALDH1A1 (0.44) KDM4EALDH1A1
SCHEMBL429722 0.73 LMNA (0.53) KDM4EALDH1A1CHKACA2NCF1

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
WO-2015086693-A1 PYRAZOLOPYRIMIDIN-2-YL DERIVATIVES AS JAK INHIBITORS ALMIRALL, S.A. (ES) 2015-06-18 WO disclosed