SCHEMBL21022264

SCHEMBL21022264

C=C(Nc1ccc(NC#N)cc1C)c1cc(C)ccc1Cl

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.41
TAS1R3 Q7RTX0 3/20 0.40
TAS1R1 Q7RTX1 3/20 0.40
TAS1R2 Q8TE23 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.39
S1PR4 O95977 1/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
ALDH1A1 P00352 3/20 0.37
GAA P10253 2/20 0.37
HTT P42858 1/20 0.36
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL21021569 0.79 TAS1R3 (0.44) L3MBTL1TAS1R3TAS1R1TAS1R2SMN1; SMN2
SCHEMBL21022158 0.77 RORC (0.47) TAS1R3TAS1R1TAS1R2SMN1; SMN2RAB9A
SCHEMBL21020549 0.76 TDP1 (0.44) SMN1; SMN2RAB9ANPC1TP53MEN1
SCHEMBL21019686 0.76 RAB9A (0.42) L3MBTL1TAS1R3TAS1R1TAS1R2SMN1; SMN2
SCHEMBL21021625 0.74 RAB9A (0.41) L3MBTL1TAS1R3TAS1R1TAS1R2SMN1; SMN2
SCHEMBL26065589 0.73 SMN1; SMN2 (0.42) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL21021155 0.73 GAA (0.61) L3MBTL1SMN1; SMN2RAB9ANPC1TP53
SCHEMBL21021249 0.72 KDM4E (0.48) L3MBTL1TAS1R3TAS1R1TAS1R2SMN1; SMN2
SCHEMBL21020666 0.72 F10 (0.47) SMN1; SMN2RAB9ANPC1TP53MEN1
SCHEMBL11667279 0.71 HTT (0.38) L3MBTL1SMN1; SMN2MEN1KMT2AALDH1A1

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-3283459-B1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2019-05-22 EP disclosed