SCHEMBL23344735

SCHEMBL23344735

Cc1cc(Cl)ccc1-c1nc(C2=CC(C)CO2)no1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.48
NOTUM Q6P988 2/20 0.42
GRM5 P41594 1/20 0.41
RAB9A P51151 9/20 0.41
NPC1 O15118 8/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
SMN1; SMN2 Q16637 5/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
DUSP3 P51452 1/20 0.39
PTPN11 Q06124 1/20 0.39
HPGD P15428 4/20 0.38
MAPT P10636 3/20 0.38
MAPK1 P28482 2/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 2/20 0.38
TSHR P16473 2/20 0.38
STAT3 P40763 1/20 0.38
NPSR1 Q6W5P4 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
SCHEMBL3264375 0.74 CASP3 (0.55) CASP3NOTUMGRM5RAB9ANPC1
SCHEMBL3266503 0.66 CASP3 (0.62) CASP3RAB9ANPC1MEN1KMT2A
SCHEMBL13930916 0.65 NPC1 (0.69) CASP3RAB9ANPC1MEN1KMT2A
SCHEMBL4586242 0.65 CASP3 (1.00) CASP3NOTUMRAB9ANPC1MEN1
SCHEMBL4594163 0.64 CASP3 (0.64) CASP3NOTUMRAB9ANPC1MEN1
SCHEMBL14363660 0.62 GRM5 (0.55) CASP3GRM5RAB9ANPC1SMN1; SMN2
SCHEMBL29719717 0.62 NOTUM (0.53) CASP3NOTUMTP53
SCHEMBL12171604 0.62 NR1H4 (0.74) CASP3RAB9ANPC1MEN1KMT2A
SCHEMBL30702156 0.60 TP53 (0.50) CASP3GRM5RAB9ANPC1MEN1
SCHEMBL20360304 0.60 TP53 (0.50) CASP3GRM5RAB9ANPC1MEN1

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
EP-3818829-A2 GRANULAR NEMATICIDE COMPOSITIONS Monsanto Technology LLC (US) 2021-05-12 EP disclosed