SCHEMBL18586458

SCHEMBL18586458

CCCc1ccc(C)cc1C(Cl)C(N)=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 2/20 0.36
▸ LDHA P00338 1/20 0.34
▸ LDHB P07195 1/20 0.34
▸ KMT2A Q03164 2/20 0.33
▸ PRKCI P41743 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ AURKA O14965 1/20 0.33
▸ NTRK1 P04629 1/20 0.33
▸ PDE5A O76074 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ IKBKB O14920 1/20 0.32
▸ TAS1R3 Q7RTX0 1/20 0.32
▸ TAS1R1 Q7RTX1 1/20 0.32
▸ TAAR1 Q96RJ0 1/20 0.31
▸ PARP1 P09874 1/20 0.31
▸ EPHX1 P07099 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 0.84 KDM4E (0.37) SRCKMT2AMEN1AURKANTRK1
SCHEMBL18586995 0.81 SRC (0.36) SRCAURKANTRK1TAS1R3TAS1R1
SCHEMBL22587303 0.76 ALOX15 (0.42) GAAHTTNPC1RAB9APARP1
SCHEMBL7282855 0.76 MEN1 (0.38) KMT2AMEN1NPC1RAB9ATAS1R3
SCHEMBL28135229 0.71 ICMT (0.41) SRCLDHALDHBPRKCIHTT
SCHEMBL22066832 0.70 SRC (0.57) SRCLDHALDHBKMT2AMEN1
SCHEMBL16951971 0.70 TRPA1 (0.33) TAAR1
SCHEMBL24168040 0.70 TAAR1 (0.37) TAAR1
SCHEMBL18586645 0.70 TRPA1 (0.35) SRC
SCHEMBL22067721 0.69 MAPK8 (0.39) LDHALDHBKMT2AMEN1NPC1

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