SCHEMBL5716638

SCHEMBL5716638

CCSC(C)CNC(=O)c1cccc(Cl)c1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
P2RX7 Q99572 6/20 0.45
GPR139 Q6DWJ6 2/20 0.41
HPGD P15428 3/20 0.40
PBRM1 Q86U86 1/20 0.40
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
TAS1R2 Q8TE23 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39
RECQL P46063 1/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37

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
SCHEMBL5716645 0.87 NPC1 (0.51) NPC1RAB9AP2RX7GPR139HPGD
SCHEMBL5716637 0.85 NPC1 (0.38) NPC1RAB9AP2RX7HPGDMEN1
SCHEMBL5716651 0.85 RAB9A (0.38) NPC1RAB9AP2RX7HPGDMEN1
SCHEMBL5716641 0.81 TDP1 (0.45) HPGDMEN1ALDH1A1KMT2ATSHR
SCHEMBL5716643 0.79 KCNA3 (0.38) NPC1RAB9AHPGDALDH1A1KDM4E
SCHEMBL5500095 0.76 NPC1 (0.47) NPC1RAB9AP2RX7GPR139HPGD
SCHEMBL550831 0.75 TAS1R3 (0.45) NPC1RAB9AGPR139HPGDPBRM1
SCHEMBL3478151 0.75 HPGD (0.71) NPC1RAB9AHPGDTSHRHTT
SCHEMBL551796 0.74 PBRM1 (0.49) NPC1RAB9AP2RX7GPR139HPGD
SCHEMBL551662 0.73 TAS1R3 (0.45) NPC1RAB9AGPR139HPGDPBRM1

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-1727804-A1 N1 - ((PYRAZOL-1-YMETHYL) -2-METHYLPHENYL)- PHATALAMIDE DERIVATIVES AND RELATED COMPOUNDS INSECTICIDES Bayer CropScience Aktiengesellschaft (DE) 2006-12-06 EP disclosed
WO-2005095351-A1 N1 - ((PYRAZOL-1-YMETHYL) -2-METHYLPHENYL)- PHATALAMIDE DERIVATIVES AND RELATED COMPOUNDS INSECTICIDES BAYER CROPSCIENCE AG (DE) 2005-10-13 WO disclosed