SCHEMBL10890489

SCHEMBL10890489

CS(=O)(=O)c1ccc2nc(CC(=O)S)oc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.40
KDM4E B2RXH2 4/20 0.40
ACP1 P24666 1/20 0.40
LMNA P02545 2/20 0.40
CSNK1D P48730 1/20 0.38
ALDH1A1 P00352 6/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HSD17B10 Q99714 1/20 0.37
NPC1 O15118 4/20 0.37
RAB9A P51151 4/20 0.37
HPGD P15428 1/20 0.37
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
TP53 P04637 2/20 0.37
GAA P10253 1/20 0.36
CLK1 P49759 1/20 0.36
TSHR P16473 1/20 0.36
RXFP1 Q9HBX9 1/20 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
SCHEMBL10890496 0.84 MAPT (0.40) MAPTKDM4EACP1LMNACSNK1D
SCHEMBL10895474 0.77 MAPT (0.46) MAPTKDM4ELMNAALDH1A1MEN1
SCHEMBL9304708 0.76 ALDH1A1 (0.38) MAPTACP1LMNAALDH1A1MEN1
SCHEMBL11323730 0.74 LMNA (0.40) MAPTKDM4ELMNAMEN1KMT2A
SCHEMBL21983967 0.73 POLB (0.47) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL10893468 0.73 RAB9A (0.59) MAPTLMNACSNK1DALDH1A1MEN1
SCHEMBL11119676 0.71 HTT (0.50) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL10889118 0.70 NPBWR1 (0.51) KDM4EALDH1A1
SCHEMBL14508173 0.70 ELANE (0.40) MAPTKDM4ELMNAALDH1A1MEN1
SCHEMBL9304726 0.68 CTSA (0.38) MAPTLMNAALDH1A1TP53CLK1

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
US-4612049-A BENZOTHI ZOLYL THIO-, BENZIMIDAZOLYLTHIO- OR BENZOXAZOLYLTHIO-SUBSTITUTED CARBOXY ACID CIBA-GEIGY CORPORATION (US) 1986-09-16 US disclosed