SCHEMBL9114577

SCHEMBL9114577

CCOc1c(C(=O)c2cnoc2C2CC2)ccc(Cl)c1SCCl

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.33
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
NPC1 O15118 1/20 0.32
PDE4D Q08499 1/20 0.31
PDE2A O00408 1/20 0.31
PIK3CD O00329 1/20 0.31
ALDH1A1 P00352 1/20 0.30
ABL1 P00519 1/20 0.30
LMNA P02545 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
RIN1 Q13671 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
SCHEMBL8752741 0.90 PDE4D (0.33) DHODHMEN1KMT2APDE4DPDE2A
SCHEMBL9114673 0.82 DHODH (0.32) DHODHMEN1KMT2ANPC1PDE4D
SCHEMBL9115647 0.82 DHODH (0.33) DHODHMEN1KMT2ANPC1PDE4D
SCHEMBL9115702 0.80 DHODH (0.36) DHODHMEN1KMT2A
SCHEMBL8729861 0.79 PDE4B (0.34) DHODHMEN1KMT2APDE4DPDE2A
SCHEMBL8724629 0.78 DHODH (0.32) DHODHMEN1KMT2APDE2AALDH1A1
SCHEMBL8752743 0.77 DHODH (0.36) DHODHMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL8752728 0.77 PDE2A (0.32) DHODHPDE2A
SCHEMBL9116932 0.76 DHODH (0.35) DHODHMEN1KMT2APDE4DPDE2A
SCHEMBL8491127 0.76 ALDH1A1 (0.35) DHODHPDE2AALDH1A1

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-1995022903-A1 NEW PESTICIDAL METHOD RHONE-POULENC AGROCHIMIE (FR) 1995-08-31 WO disclosed