SCHEMBL20076740

SCHEMBL20076740

C=Cc1cccc(NC(=C)C2CC2(C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
POLB P06746 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
TP53 P04637 1/20 0.38
RHOA P61586 1/20 0.35
FAAH O00519 1/20 0.34
CCKBR P32239 1/20 0.34
ALDH1A1 P00352 1/20 0.34
ACKR3 P25106 1/20 0.33
EPHX2 P34913 2/20 0.32
AURKA O14965 1/20 0.31
RPS6KB1 P23443 1/20 0.31
TGM2 P21980 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
SYK P43405 1/20 0.31
EGFR P00533 1/20 0.31
MMP1 P03956 1/20 0.31

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
SCHEMBL21021582 0.75 MEN1 (0.33) MEN1KMT2AALDH1A1EPHX2
SCHEMBL21021630 0.71 MEN1 (0.37) MEN1KMT2APOLBTDP1TP53
SCHEMBL20076545 0.70 CNR1 (0.33) MEN1KMT2AALDH1A1
SCHEMBL5950789 0.70 ALDH1A1 (0.58) MEN1KMT2APOLBTP53ALDH1A1
SCHEMBL27823783 0.70 TDP1 (0.64) MEN1KMT2APOLBTDP1TP53
SCHEMBL21022193 0.69 ALDH1A1 (0.34) POLBALDH1A1EPHX2
SCHEMBL4336194 0.68 MEN1 (0.51) MEN1KMT2APOLBTDP1TP53
SCHEMBL20076826 0.68 HTR1F (0.36) MEN1KMT2ATP53ALDH1A1EPHX2
SCHEMBL7048754 0.67 TP53 (0.54) MEN1KMT2APOLBTDP1TP53
SCHEMBL11335933 0.67 SMN1; SMN2 (0.56) MEN1KMT2APOLBTP53ALDH1A1

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-2018071327-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2018-04-19 WO disclosed