SCHEMBL8823091

SCHEMBL8823091

CC(C)c1cccc(C(C)C)c1NC(=O)Nc1sc(N2CCOCC2)nc1-c1ccccc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.42
GAA P10253 3/20 0.42
HPGD P15428 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
MAPT P10636 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CCNA2 P20248 1/20 0.41
CDK2 P24941 1/20 0.41
CCNA1 P78396 1/20 0.41
CDK5 Q00535 1/20 0.41
CDK5R1 Q15078 1/20 0.41
EPAS1 Q99814 1/20 0.41
HTR2C P28335 2/20 0.40
ALOX5 P09917 1/20 0.40
AR P10275 1/20 0.39
LMNA P02545 1/20 0.39
HIF1A Q16665 1/20 0.39
MTOR P42345 1/20 0.38

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
SCHEMBL8823094 0.91 TDP1 (0.43) ALDH1A1HPGDRAB9AMEN1KMT2A
SCHEMBL8823071 0.86 RAB9A (0.41) ALDH1A1GAAHPGDNPC1RAB9A
SCHEMBL8823066 0.81 NTRK1 (0.51) KMT2ALMNA
SCHEMBL8946722 0.81 PIK3CA (0.44) ALDH1A1GAAMAPTMTORTDP1
SCHEMBL8823064 0.79 KDM4E (0.47) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL8823045 0.79 LPAR1 (0.40) KMT2ALMNA
SCHEMBL8823096 0.79 LPAR1 (0.40) ALDH1A1HPGDRAB9AMEN1KMT2A
SCHEMBL8823127 0.77 LPAR1 (0.38) ALDH1A1RAB9AMAPTMEN1KMT2A
SCHEMBL8823162 0.75
SCHEMBL8823120 0.73 ALDH1A1 (0.58) ALDH1A1GAAHPGDNPC1RAB9A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0761658-A1 Azole-phenyl urea derivatives as ACAT inhibitors and their production NIHON NOHYAKU CO., LTD. (JP) 1997-03-12 EP disclosed