SCHEMBL9305594

SCHEMBL9305594

CCCOc1cc2sc(I)nc2cc1Br

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 1/20 0.37
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
MAPT P10636 6/20 0.35
SMN1; SMN2 Q16637 6/20 0.35
TLR8 Q9NR97 1/20 0.35
TP53 P04637 3/20 0.34
LMNA P02545 1/20 0.33
THRB P10828 1/20 0.33
NPC1 O15118 1/20 0.33
GAA P10253 1/20 0.33
MAPK1 P28482 1/20 0.33
RAB9A P51151 1/20 0.33
ABL1 P00519 1/20 0.32
SCD O00767 1/20 0.32
HPGD P15428 1/20 0.31
EGFR P00533 1/20 0.30
HPSE Q9Y251 1/20 0.30

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
SCHEMBL9306389 0.83 STING1 (0.37) STING1PTGS1PTGS2MAPTSMN1; SMN2
SCHEMBL10759187 0.76 STING1 (0.42) STING1MAPTSMN1; SMN2TP53LMNA
SCHEMBL9305556 0.72 STING1 (0.39) STING1MAPTSMN1; SMN2TP53LMNA
SCHEMBL15702514 0.72 HPGD (0.44) MAPTSMN1; SMN2TLR8TP53LMNA
SCHEMBL9304057 0.71 HPSE (0.36) MAPTTLR8LMNATHRBGAA
SCHEMBL9305564 0.71 STING1 (0.42) STING1MAPTSMN1; SMN2TP53LMNA
SCHEMBL10759182 0.70 STING1 (0.42) STING1MAPT
SCHEMBL24133166 0.70 STING1 (0.48) STING1MAPTSMN1; SMN2TP53LMNA
SCHEMBL19729116 0.70 HSD17B10 (0.34) MAPTSMN1; SMN2TLR8TP53LMNA
SCHEMBL9304064 0.69 HPSE (0.36) TLR8LMNAMAPK1HPGDEGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5347008-A Thio(cyclo) alkanepolycarboxylic acids containing heterocyclic substituents CIBA-GEIGY CORPORATION (US) 1994-09-13 US disclosed
US-5152929-A Corrosion inhibitors for water systems CIBA-GEIGY CORPORATION (US) 1992-10-06 US disclosed
EP-0129506-B1 HETEROCYCLICALLY SUBSTITUTED THIO(CYCLO)ALKANE POLYCARBOXYLIC ACIDS CIBA-GEIGY AG (CH) 1991-03-06 EP disclosed
EP-0129506-A2 Heterocyclically substituted thio(cyclo)alkane polycarboxylic acids CIBA-GEIGY AG (CH) 1984-12-27 EP disclosed