SCHEMBL18586647

SCHEMBL18586647

COCCc1ccc(C)cc1C(Cl)C(N)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ TAS1R3 Q7RTX0 1/20 0.36
▸ TAS1R1 Q7RTX1 1/20 0.36
▸ TAS1R2 Q8TE23 1/20 0.36
▸ SRC P12931 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ USP2 O75604 1/20 0.32
▸ AURKA O14965 1/20 0.32
▸ NTRK1 P04629 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ CA12 O43570 1/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ CA9 Q16790 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ PDE10A Q9Y233 1/20 0.30
▸ TSHR P16473 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
SCHEMBL18586995 0.86 SRC (0.36) KDM4EALDH1A1TAS1R3TAS1R1TAS1R2
SCHEMBL18586458 0.84 SRC (0.36) TAS1R3TAS1R1SRCAURKANTRK1
SCHEMBL18586645 0.72 TRPA1 (0.35) SRC
SCHEMBL7282855 0.72 MEN1 (0.38) TAS1R3TAS1R1TAS1R2HPGDMEN1
SCHEMBL22587303 0.72 ALOX15 (0.42) ALDH1A1CA1NPC1RAB9ATSHR
SCHEMBL6995574 0.69 ALDH1A1 (0.47) KDM4EALDH1A1CA1NPC1RAB9A
SCHEMBL18585979 0.67 SMN1; SMN2 (0.56) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL10204852 0.65 AMY1A (0.52) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL15899204 0.65 SLC13A5 (0.46) KDM4EALDH1A1TAS1R3TAS1R1TAS1R2
SCHEMBL8427287 0.65 TAAR1 (0.59) KDM4EALDH1A1TAS1R3TAS1R1TAS1R2

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
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