SCHEMBL11099693

SCHEMBL11099693

CNC(=O)Nc1cccc(Oc2ccc(C(F)(F)F)cc2Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STK39 Q9UEW8 1/20 0.54
BRAF P15056 3/20 0.54
KDR P35968 2/20 0.54
MAPK14 Q16539 1/20 0.54
TNNI3K Q59H18 1/20 0.54
NTRK1 P04629 1/20 0.52
RAF1 P04049 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
EGFR P00533 1/20 0.50
ERBB2 P04626 1/20 0.50
RET P07949 1/20 0.49
CDK8 P49336 2/20 0.48
CCNC P24863 1/20 0.48
MRGPRX4 Q96LA9 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48

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
SCHEMBL11584206 0.91 STK39 (0.65) STK39BRAFKDRMAPK14TNNI3K
SCHEMBL11097485 0.85 TP53 (0.62) STK39BRAFKDRMAPK14TNNI3K
SCHEMBL8320103 0.83 FFAR1 (0.51) BRAFKDRMEN1KMT2ACYP1A2
SCHEMBL11096253 0.83 STK39 (0.51) STK39BRAFRAF1MEN1KMT2A
SCHEMBL11093171 0.83 STK39 (0.51) STK39BRAFKDRMAPK14TNNI3K
SCHEMBL11097831 0.82 STK39 (0.50) STK39MEN1KMT2ACYP1A2CYP3A4
SCHEMBL9054295 0.81 CYP1A2 (0.47) STK39BRAFRAF1MEN1KMT2A
SCHEMBL8319542 0.81 MAPT (0.48) BRAFKDRMAPK14TNNI3KMRGPRX4
SCHEMBL11407116 0.81 MRGPRX4 (0.50) STK39MEN1KMT2AMRGPRX4CYP1A2
SCHEMBL10519119 0.80 STK39 (0.48) STK39MEN1KMT2AEGFRERBB2

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-0027965-B1 SUBSTITUTED UREAS, THEIR PREPARATION AND USE AS HERBICIDES, AND COMPOSITIONS THEREFOR BASF Aktiengesellschaft (DE) 1984-06-13 EP claimed