SCHEMBL7095429

SCHEMBL7095429

Sc1nc(Cc2ccccc2)c(Cc2ccccc2)s1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 2/20 0.40
CALM1 P0DP23 1/20 0.39
LMNA P02545 1/20 0.38
ALDH1A1 P00352 3/20 0.37
HPGD P15428 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
PTPN1 P18031 1/20 0.36
XIAP P98170 2/20 0.35
PARP1 P09874 1/20 0.34
AR P10275 1/20 0.34

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
SCHEMBL22444399 0.77 LTB4R (0.37) LTB4RCALM1LMNAALDH1A1HPGD
SCHEMBL2679612 0.76 CDK1 (0.42) LTB4RCALM1LMNAALDH1A1HPGD
SCHEMBL2096826 0.75 PTGDR2 (0.39) LTB4RCALM1ALDH1A1HPGDHSD17B10
SCHEMBL2096822 0.75 XIAP (0.39) LTB4RCALM1LMNAALDH1A1HPGD
SCHEMBL21306242 0.70 CALM1 (0.61) LTB4RCALM1ALDH1A1HPGDKDM4E
SCHEMBL9094068 0.68 LMNA (0.59) CALM1LMNAALDH1A1HPGDCYP1A2
SCHEMBL9306632 0.66 KMT2A (0.37) CALM1LMNAALDH1A1GAACYP1A2
SCHEMBL22588269 0.66 ALDH1A1 (0.47) LTB4RCALM1ALDH1A1HSD17B10CYP1A2
SCHEMBL17141925 0.65 GAA (0.49) LTB4RCALM1ALDH1A1HPGDKDM4E
SCHEMBL23954307 0.65 LTA4H (0.50) LTB4RCALM1CYP1A2CYP3A4CYP2D6

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-0949263-B1 Process for producing sulfur-containing organosilicon compounds DAISO CO LTD (JP) 2003-08-27 EP disclosed
EP-0949263-A2 Process for producing sulfur-containing organosilicon compounds and synthetic intermediates thereof DAISO CO., LTD. (JP) 1999-10-13 EP disclosed