SCHEMBL7589245

SCHEMBL7589245

CCCCCc1ccccc1C(=O)NC(N)=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.45
LIPG Q9Y5X9 1/20 0.45
TSHR P16473 1/20 0.45
ALDH1A1 P00352 1/20 0.43
ADRB2 P07550 1/20 0.43
KDR P35968 1/20 0.43
BID P55957 3/20 0.42
MCL1 Q07820 3/20 0.42
BCL2L1 Q07817 2/20 0.42
BAK1 Q16611 2/20 0.42
KAT8 Q9H7Z6 2/20 0.42
LMNA P02545 2/20 0.42
NAAA Q02083 1/20 0.42
MEN1 O00255 1/20 0.42
NR1I2 O75469 1/20 0.42
CHRM2 P08172 1/20 0.42
CYP3A4 P08684 1/20 0.42
ADRA2A P08913 1/20 0.42
MAPT P10636 1/20 0.42
OPRK1 P41145 1/20 0.42

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
SCHEMBL8582835 0.88 HTT (0.43) HTTLIPGTSHRBIDMCL1
SCHEMBL1545821 0.86 HTT (0.49) HTTLIPGTSHRBIDMCL1
SCHEMBL27362437 0.85 LIPG (0.49) HTTLIPGTSHRBIDMCL1
SCHEMBL4433080 0.84 LIPG (0.51) HTTLIPGTSHRBIDMCL1
SCHEMBL5509842 0.84 F2R (0.50) HTTTSHRALDH1A1ADRB2LMNA
SCHEMBL15923268 0.83 HTT (0.49) HTTLIPGTSHRALDH1A1BID
SCHEMBL1004433 0.82 CYP3A4 (0.55) LIPGTSHRALDH1A1BIDMCL1
SCHEMBL28960300 0.82 PPARA (0.46) HTTLIPGTSHRALDH1A1LMNA
SCHEMBL3744047 0.82 ALDH1A1 (0.66) HTTALDH1A1ADRB2KDRLMNA
SCHEMBL11039198 0.81 LIPG (0.51) HTTLIPGTSHRALDH1A1BID

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-0944321-B1 COMPOSITIONS FOR THE SYSTEMIC CONTROL OF PARASITES OF WARM-BLOODED ANIMALS ISAGRO SPA (IT) 2002-09-18 EP disclosed
US-6136836-A A 1-(3-CHLORO-4-(1,1,2-TRIFLUORO-2-FLUOROMETHOXYETHOXY)PHENYL-3-(2,6-DIFLUOROBENZOYL)UREA ISAGRO S.P.A. (IT) 2000-10-24 US disclosed