SCHEMBL5716639

SCHEMBL5716639

CSC(C)CNC(=O)c1cccc(Br)c1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
KDM4E B2RXH2 3/20 0.39
TAAR1 Q96RJ0 1/20 0.39
POLB P06746 1/20 0.39
SIGMAR1 Q99720 1/20 0.38
ALDH1A1 P00352 2/20 0.37
NLRP3 Q96P20 1/20 0.36
MAPT P10636 1/20 0.36
KCNA3 P22001 1/20 0.36
GAA P10253 2/20 0.36
KMT2A Q03164 2/20 0.36
HSD17B10 Q99714 2/20 0.36
F2R P25116 2/20 0.36
HTT P42858 2/20 0.35
TSHR P16473 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL5716651 0.87 RAB9A (0.38) RAB9ANPC1KDM4ETAAR1POLB
SCHEMBL5716644 0.84 NPC1 (0.39) RAB9ANPC1KDM4ETAAR1POLB
SCHEMBL5177997 0.84 NPC1 (0.39) RAB9ANPC1KDM4ETAAR1POLB
SCHEMBL5716645 0.84 NPC1 (0.51) RAB9ANPC1KDM4ETAAR1POLB
SCHEMBL5177699 0.80 KDM4E (0.59) RAB9ANPC1KDM4ETAAR1POLB
SCHEMBL5716646 0.78 KCNA3 (0.40) RAB9ANPC1KDM4ETAAR1POLB
SCHEMBL551264 0.77 KMT2A (0.44) RAB9APOLBALDH1A1MAPTKMT2A
SCHEMBL551897 0.76 ALDH1A1 (0.50) KDM4EPOLBALDH1A1KMT2AF2R
SCHEMBL6227836 0.76 KCNA3 (0.38) RAB9ANPC1KDM4ETAAR1POLB
SCHEMBL5500095 0.75 NPC1 (0.47) RAB9ANPC1KDM4ETAAR1ALDH1A1

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