SCHEMBL15569697

SCHEMBL15569697

CCCn1nc(C(=O)C2=C(O)CCCC2=O)c(C)c(C)c1=O

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.38
ALDH1A1 P00352 6/20 0.36
LMNA P02545 2/20 0.36
CNR1 P21554 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
HTT P42858 2/20 0.33
MAPK1 P28482 1/20 0.32
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
MAPT P10636 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL15568776 0.79 MEN1 (0.33) LMNAMEN1KMT2A
SCHEMBL15569803 0.72 POLB (0.35) ALDH1A1LMNACNR1MEN1KMT2A
SCHEMBL15569361 0.70 MEN1 (0.39) ALDH1A1LMNAMEN1KMT2A
SCHEMBL15569610 0.70 ATM (0.37) ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL23729701 0.68 HPD (0.39) SMN1; SMN2
SCHEMBL23729685 0.68 HTR3A (0.36) GAAALDH1A1LMNAHSD17B10SMN1; SMN2
SCHEMBL23730135 0.68 HPD (0.40) ALDH1A1TSHRHSD17B10
SCHEMBL23730109 0.66 HPD (0.34) CNR1
SCHEMBL23729681 0.66 HPD (0.36) CNR1
SCHEMBL16460013 0.65 TP53 (0.32) KMT2A

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-2014031971-A1 HERBICIDAL PYRIDAZINONES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2014-02-27 WO disclosed