SCHEMBL6502049

SCHEMBL6502049

Cc1c(Cl)cccc1S(=O)(=O)Nc1ncsc1N1CCCC1.O=S(=O)(Nc1nc(Cl)c(N2CCCC2)s1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 8/20 0.41
HSD17B1 P14061 2/20 0.41
HSD17B2 P37059 2/20 0.41
CCR4 P51679 1/20 0.40
ALDH1A1 P00352 2/20 0.38
HPGD P15428 1/20 0.38
AKT1 P31749 1/20 0.38
MYLK Q15746 1/20 0.38
MAPK14 Q16539 1/20 0.38
GAA P10253 2/20 0.38
LMNA P02545 1/20 0.38
SLC40A1 Q9NP59 1/20 0.38
PKM P14618 1/20 0.37
HTR6 P50406 1/20 0.36
KDM1A O60341 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
EDNRB P24530 2/20 0.36
EDNRA P25101 2/20 0.36

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
SCHEMBL6502050 0.82 PKM (0.47) ALDH1A1HPGDGAALMNAPKM
SCHEMBL6504150 0.81 ALDH1A1 (0.50) ALDH1A1HPGDGAALMNAPKM
SCHEMBL6501868 0.77 ALDH1A1 (0.49) ALDH1A1HPGDLMNASLC40A1PKM
SCHEMBL6508478 0.73 SLC40A1 (0.37) ALDH1A1GAALMNASLC40A1KDM4E
SCHEMBL2762614 0.66 KDM1A (0.69) HSD11B1HSD17B1HSD17B2KDM1A
SCHEMBL6507034 0.65 HPGD (0.40) ALDH1A1HPGDGAALMNAMAPT
SCHEMBL3935864 0.64 HSD11B1 (0.53) HSD11B1CCR4ALDH1A1GAALMNA
SCHEMBL5398845 0.64 HSD11B1 (0.47) HSD11B1HSD17B1HSD17B2CCR4ALDH1A1
SCHEMBL3625075 0.64 HSD11B1 (0.61) HSD11B1HSD17B1HSD17B2CCR4ALDH1A1
SCHEMBL3926626 0.64 HSD11B1 (0.53) HSD11B1CCR4ALDH1A1GAALMNA

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
WO-2005014591-A1 2-ACYLAMINO OR 2-SULFONYLAMINO-1, 3-THIAZOLES AS COUPLERS FOR THE OXIDATION DYEING OF KERATIN FIBRES L'OREAL (FR) 2005-02-17 WO claimed