SCHEMBL9569906

SCHEMBL9569906

CCCSc1ncc(Cl)cc1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.39
HTT P42858 2/20 0.39
KDM6B O15054 3/20 0.39
KDM4A O75164 3/20 0.39
KDM4D Q6B0I6 3/20 0.39
KDM3B Q7LBC6 3/20 0.39
HIF1AN Q9NWT6 3/20 0.39
KDM5B Q9UGL1 3/20 0.39
KDM2A Q9Y2K7 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
HSD11B1 P28845 2/20 0.36
GABRP O00591 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
SCHEMBL1015260 0.75 HSD11B1 (0.50) HSD17B10HTTKDM6BKDM4AKDM4D
SCHEMBL3093813 0.72 SMN1; SMN2 (0.70) HTTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL1015456 0.71 RAB9A (0.45) HSD17B10HTTKDM6BKDM4AKDM4D
SCHEMBL1013058 0.71 HSD11B1 (0.51) HTTKDM6BKDM4AKDM4DKDM3B
SCHEMBL11452714 0.71 CYP1A2 (0.45) HTTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL11463145 0.70 KMT2A (0.49) HSD17B10SMN1; SMN2NPC1ALDH1A1HPGD
SCHEMBL30990046 0.70 KMT2A (0.49) HSD17B10SMN1; SMN2NPC1ALDH1A1HPGD
SCHEMBL11453574 0.70 MEN1 (0.47) HSD17B10SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL1989839 0.70 TP53 (0.48) HSD17B10HTTSMN1; SMN2NPC1RAB9A
SCHEMBL30389663 0.70 TP53 (0.48) HSD17B10HTTSMN1; SMN2NPC1RAB9A

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-0550900-A1 Herbicidal and plant-nematocidal compositions based on mercaptonicotinic acid derivatives BAYER AG (DE) 1993-07-14 EP disclosed