SCHEMBL18586995

SCHEMBL18586995

COCc1ccc(C)cc1C(Cl)C(N)=O

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 2/20 0.36
▸ CDK8 P49336 1/20 0.33
▸ CDK19 Q9BWU1 1/20 0.33
▸ AURKA O14965 1/20 0.33
▸ NTRK1 P04629 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ TAS1R3 Q7RTX0 1/20 0.32
▸ TAS1R1 Q7RTX1 1/20 0.32
▸ TAS1R2 Q8TE23 1/20 0.32
▸ PRKCE Q02156 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ ABL1 P00519 1/20 0.32
▸ RIN1 Q13671 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ LPAR1 Q92633 1/20 0.31
▸ MC4R P32245 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
SCHEMBL18586647 0.86 KDM4E (0.37) SRCAURKANTRK1KDM4EALDH1A1
SCHEMBL18586458 0.81 SRC (0.36) SRCAURKANTRK1TAS1R3TAS1R1
SCHEMBL18586645 0.75 TRPA1 (0.35) SRC
SCHEMBL22587303 0.74 ALOX15 (0.42) ALDH1A1SMN1; SMN2
SCHEMBL7282855 0.74 MEN1 (0.38) TAS1R3TAS1R1TAS1R2HPGDSMN1; SMN2
SCHEMBL25625702 0.74 KDM4E (0.42) KDM4EALDH1A1LPAR1
SCHEMBL14543279 0.72 ICMT (0.40) SRCCDK8CDK19ALDH1A1PRKCE
SCHEMBL18570745 0.68 KDM4E (0.40) SRCKDM4EALDH1A1PRKCEHPGD
SCHEMBL8256542 0.67 KDM4E (0.41) SRCKDM4EALDH1A1PRKCEHPGD
SCHEMBL12016053 0.67 IDO1 (0.42) KDM4EALDH1A1HPGDSMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3344599-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO Dow Agrosciences LLC (US) 2018-07-11 — — EP disclosed
WO-2017040191-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2017-03-09 — — WO disclosed
Send feedback