SCHEMBL1829558

SCHEMBL1829558

CCC(C(N)=O)C(C)(C)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.48
KMT2A Q03164 1/20 0.48
CYP2C19 P33261 1/20 0.43
HIF1A Q16665 1/20 0.43
KIF11 P52732 6/20 0.41
CYP2D6 P10635 2/20 0.41
CYP1A2 P05177 1/20 0.41
EPHX1 P07099 5/20 0.39
LMNA P02545 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
KCNH2 Q12809 1/20 0.39
TAAR1 Q96RJ0 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 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
SCHEMBL4377967 0.85 CYP2C19 (0.46) MAPTKMT2ACYP2C19HIF1AKIF11
SCHEMBL1028846 0.79 KMT2A (0.44) MAPTKMT2ACYP2C19HIF1AKIF11
SCHEMBL28310621 0.79 CYP2D6 (0.42) MAPTKMT2ACYP2C19HIF1AKIF11
SCHEMBL30166197 0.78 KCNN4 (0.45) MAPTKMT2ACYP2C19KIF11CYP2D6
SCHEMBL16314168 0.76 MAPT (0.53) MAPTKMT2ACYP2C19HIF1AKIF11
SCHEMBL9049034 0.75 MAPT (0.44) MAPTKMT2ACYP2C19HIF1AKIF11
SCHEMBL8410397 0.74 MAPT (0.52) MAPTKMT2ACYP2C19HIF1AKIF11
SCHEMBL7528311 0.73 PIN1 (0.44) MAPTKMT2ACYP2C19HIF1ACHRM2
SCHEMBL9755832 0.73 CYP2C19 (0.48) MAPTKMT2ACYP2C19HIF1AKIF11
SCHEMBL5981109 0.71 MAPT (0.48) MAPTKMT2ACYP2C19HIF1AKIF11

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-2317855-A2 HERBICIDAL COMBINATION COMPRISING DIMETHOXY-TRIAZINYL-SUBSTITUTED DIFLUOROMETHANE SULFONYLANILIDES BAYER CROPSCIENCE AG (DE) 2011-05-11 EP disclosed