SCHEMBL3230229

SCHEMBL3230229

CCC1CCCCC1.CCCc1cc(N)n2ncnc2n1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.45
LMNA P02545 3/20 0.45
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TSHR P16473 2/20 0.40
MAPK1 P28482 2/20 0.40
ALDH1A1 P00352 3/20 0.38
USP2 O75604 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CTSK P43235 3/20 0.36
CTSS P25774 2/20 0.36
CDK2 P24941 1/20 0.36
GSK3B P49841 1/20 0.36
KDM4E B2RXH2 1/20 0.33
MBOAT4 Q96T53 1/20 0.33
ATM Q13315 1/20 0.33
CYP1A2 P05177 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PDE2A O00408 1/20 0.32

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
SCHEMBL15063412 0.76 GAA (0.47) HPGDLMNAMEN1KMT2ATSHR
SCHEMBL609545 0.74 KDM1A (0.44) LMNAMEN1KMT2ATSHRMAPK1
SCHEMBL2490912 0.69 MEN1 (0.52) HPGDLMNAMEN1KMT2ATSHR
SCHEMBL20266723 0.69 MEN1 (0.52) HPGDLMNAMEN1KMT2ATSHR
SCHEMBL4241122 0.68 MEN1 (0.36) HPGDLMNAMEN1KMT2ATSHR
SCHEMBL609785 0.64 ALDH1A1 (0.67) HPGDLMNAMEN1KMT2ATSHR
SCHEMBL611178 0.64 MBOAT4 (0.38) MBOAT4
SCHEMBL5096009 0.63 EGLN2 (0.50) HPGDLMNATSHRMAPK1ALDH1A1
SCHEMBL974576 0.62 PDE2A (0.39) KMT2ATSHRMAPK1ALDH1A1PDE2A
SCHEMBL8943896 0.62 ATM (0.45) HPGDLMNAMEN1KMT2ATSHR

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
WO-2008148859-A2 FUNGICIDAL MIXTURES BASF SE (DE) 2008-12-11 WO claimed
WO-2008092836-A2 METHOD FOR IMPROVING PLANT HEALTH BASF SE (DE) 2008-08-07 WO claimed
WO-2010003877-A1 PESTICIDAL MIXTURES COMPRISING ISOXAZOLINE COMPOUNDS II BASF SE (DE) 2010-01-14 WO disclosed