SCHEMBL4636197

SCHEMBL4636197

CCSc1ccc(N(C)C(=O)NC(=O)c2cccc(F)c2Cl)c(F)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH2 P05091 1/20 0.34
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
TAS1R2 Q8TE23 1/20 0.34
P2RX7 Q99572 7/20 0.33
F10 P00742 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
ALDH1A1 P00352 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
DHODH Q02127 1/20 0.32
PPIA P62937 1/20 0.32
POLB P06746 1/20 0.32
RORC P51449 1/20 0.32
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
LMNA P02545 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL4157453 0.86 TRPA1 (0.36) RAB9APPIAPOLBRORC
SCHEMBL4636792 0.85 CYP11B1 (0.35) ALDH2P2RX7CYP11B1CYP11B2DHODH
SCHEMBL4154465 0.85 RORC (0.41) RAB9APPIAPOLBRORCLMNA
SCHEMBL4636352 0.82 P2RX7 (0.33) ALDH2P2RX7CYP11B1CYP11B2DHODH
SCHEMBL4636710 0.82 CYP11B1 (0.33) ALDH2P2RX7CYP11B1CYP11B2ALDH1A1
SCHEMBL4636733 0.78 CES2 (0.33) P2RX7DHODHCTSS
SCHEMBL4637596 0.78 TAS1R3 (0.38) TAS1R3TAS1R1TAS1R2P2RX7DHODH
SCHEMBL4637621 0.78 CES2 (0.32)
SCHEMBL4637507 0.74 RXFP1 (0.35) ALDH1A1CTSSLMNA
SCHEMBL4160195 0.74 TRPA1 (0.35) ALDH1A1RAB9APOLBRORC

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-1937629-A2 BENZOYLUREA COMPOUNDS AND USE THEREOF Sumitomo Chemical Company, Limited (JP) 2008-07-02 EP disclosed
WO-2007046513-A2 BENZOYLUREA COMPOUNDS AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-04-26 WO disclosed