SCHEMBL19655813

SCHEMBL19655813

CCOCC(=O)COc1ccccc1Oc1nc(NC(=O)N(C)/C(=C\C(C)=O)C(F)(F)F)c(F)cc1Cl

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.33
TSHR P16473 1/20 0.32
LMNA P02545 3/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
KMT2A Q03164 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
SCN9A Q15858 1/20 0.30
EGFR P00533 1/20 0.30
ERBB2 P04626 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
SCHEMBL19655801 0.92 MEN1 (0.32) DHODHMEN1KMT2AMAPTSCN9A
SCHEMBL19655853 0.91 LMNA (0.33) DHODHTSHRLMNASMN1; SMN2MEN1
SCHEMBL19655799 0.88 DHODH (0.31) DHODHLMNATP53MAPT
SCHEMBL19655870 0.86 PPIA (0.35) SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL19655851 0.84 DHODH (0.33) DHODHSMN1; SMN2MEN1KMT2AMAPT
SCHEMBL21038259 0.77 MEN1 (0.33) MEN1KMT2AMAPTSCN9A
SCHEMBL19655872 0.76 KMT2A (0.34) DHODHSMN1; SMN2MEN1KMT2AMAPT
SCHEMBL19827965 0.76 TSHR (0.36) DHODHTSHRLMNACYP1A2CYP2C19
SCHEMBL19827967 0.75 LMNA (0.35) DHODHTSHRLMNACYP2C19SMN1; SMN2
SCHEMBL21033435 0.73 MAPT (0.40) TSHRLMNACYP1A2CYP2C19SMN1; SMN2

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-2017202768-A1 HERBICIDAL URACILPYRID BASF SE (DE) 2017-11-30 WO disclosed