SCHEMBL9308949

SCHEMBL9308949

Cc1c(C(=O)O)cnn1-c1c(Cl)cc(Cl)cc1Cl

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.78
SPR P35270 4/20 0.48
L3MBTL1 Q9Y468 2/20 0.46
CDK4 P11802 1/20 0.44
CCND1 P24385 1/20 0.44
NOTUM Q6P988 3/20 0.43
AKR1C4 P17516 1/20 0.42
AKR1C3 P42330 1/20 0.42
AKR1C2 P52895 1/20 0.42
AKR1C1 Q04828 1/20 0.42
KMT2A Q03164 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 1/20 0.40
TP53 P04637 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL7229595 0.88 MAPK1 (1.00) MAPK1SPRL3MBTL1CDK4CCND1
SCHEMBL8339625 0.84 MAPK1 (0.56) MAPK1SPRL3MBTL1NOTUMKMT2A
SCHEMBL9310613 0.84 MAPK1 (0.57) MAPK1SPRSMN1; SMN2
SCHEMBL8341634 0.84 MAPK1 (0.55) MAPK1SPRL3MBTL1NOTUMKMT2A
SCHEMBL9310473 0.81 MAPK1 (0.68) MAPK1KMT2ANPC1RAB9AMEN1
SCHEMBL15168106 0.81 LMNA (0.59) MAPK1SPRNOTUMKMT2ALMNA
SCHEMBL15167773 0.81 MAPK1 (0.52) MAPK1SPRL3MBTL1NOTUMKMT2A
SCHEMBL11791537 0.78 MAPK1 (0.56) MAPK1L3MBTL1CDK4CCND1AKR1C4
SCHEMBL1420155 0.76 KMT2A (0.61) MAPK1L3MBTL1NOTUMKMT2ANPC1
SCHEMBL2402900 0.76 NOTUM (0.57) MAPK1SPRL3MBTL1NOTUMKMT2A

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
US-5321002-A Herbicidal derivatives of 2-(1-aryl-4-cyano-5-pyrazolylmethyleneiminooxy)alkanoic acids FMC CORPORATION (US) 1994-06-14 US disclosed