SCHEMBL12440629

SCHEMBL12440629

Cc1cc(C(F)(C(F)(F)F)C(F)(F)F)cc(C(F)(F)F)c1NC(=O)c1cccc(N=O)c1Cl

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
P2RX1 P51575 2/20 0.38
CTSS P25774 4/20 0.38
CTSK P43235 3/20 0.38
TMPRSS4 Q9NRS4 2/20 0.36
KDM4E B2RXH2 1/20 0.35
P2RX4 Q99571 1/20 0.35
P2RX7 Q99572 1/20 0.35
PTGES O14684 6/20 0.35
RXFP1 Q9HBX9 1/20 0.35
KCNJ11 Q14654 1/20 0.35
KCNK3 O14649 1/20 0.35
KCNK9 Q9NPC2 1/20 0.35
RIPK1 Q13546 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
PDK1 Q15118 1/20 0.34
PDK2 Q15119 1/20 0.34
PDK3 Q15120 1/20 0.34
PDK4 Q16654 1/20 0.34

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
SCHEMBL12658945 0.92 POLB (0.39) P2RX1TMPRSS4P2RX4P2RX7RXFP1
SCHEMBL12649004 0.89 SMN1; SMN2 (0.37) P2RX1CTSSCTSKTMPRSS4KDM4E
SCHEMBL12439454 0.88 P2RX1 (0.38) P2RX1CTSSP2RX7PTGESRXFP1
SCHEMBL12648899 0.83 TRPV1 (0.37) P2RX1CTSSTMPRSS4KDM4EP2RX4
SCHEMBL22212759 0.83 RORC (0.36) P2RX1TMPRSS4KDM4EP2RX4P2RX7
SCHEMBL12659194 0.83 SMN1; SMN2 (0.36) P2RX1TMPRSS4P2RX4P2RX7RXFP1
SCHEMBL12659241 0.82 SMN1; SMN2 (0.33) P2RX1TMPRSS4KDM4EP2RX4P2RX7
SCHEMBL12440042 0.82 DHODH (0.47) P2RX1
SCHEMBL12658709 0.80 POLB (0.40) P2RX1KDM4EP2RX7RXFP1KCNJ11
SCHEMBL15242248 0.80 P2RX1 (0.41) P2RX1CTSSCTSKTMPRSS4KDM4E

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
WO-2011093415-A1 COMPOSITION FOR CONTROL OF ANIMAL PARASITES, AND METHOD FOR CONTROL OF ANIMAL PARASITES 三井化学アグロ株式会社 (JP) 2011-08-04 WO disclosed
WO-2010018714-A1 AMIDE DERIVATIVE, PEST CONTROL AGENT CONTAINING THE AMIDE DERIVATIVE AND USE OF THE PEST CONTROL AGENT 三井化学アグロ株式会社 (JP) 2010-02-18 WO disclosed