SCHEMBL9305319

SCHEMBL9305319

Clc1nc2c(N3CCOCC3)cccc2s1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.52
RAB9A P51151 4/20 0.47
NPC1 O15118 3/20 0.47
ALDH1A1 P00352 3/20 0.45
ALOX15 P16050 1/20 0.44
MAPT P10636 5/20 0.43
LMNA P02545 2/20 0.42
HPGD P15428 1/20 0.41
FGFR1 P11362 1/20 0.41
ADORA2A P29274 1/20 0.41
NCF1 P14598 1/20 0.40
GAA P10253 2/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
THRB P10828 1/20 0.40
RECQL P46063 1/20 0.40
BLM P54132 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL28609078 0.84 SMN1; SMN2 (0.51) SMN1; SMN2RAB9ANPC1ALDH1A1ALOX15
SCHEMBL9734113 0.84 SMN1; SMN2 (0.51) SMN1; SMN2RAB9ANPC1ALDH1A1ALOX15
SCHEMBL19207393 0.84 SMN1; SMN2 (0.51) SMN1; SMN2RAB9ANPC1ALDH1A1ALOX15
SCHEMBL2192308 0.82 SMN1; SMN2 (0.50) SMN1; SMN2RAB9ANPC1ALDH1A1ALOX15
SCHEMBL28543507 0.80 SMN1; SMN2 (0.48) SMN1; SMN2RAB9ANPC1ALDH1A1ALOX15
SCHEMBL1706586 0.80 SMN1; SMN2 (0.48) SMN1; SMN2RAB9ANPC1ALDH1A1ALOX15
SCHEMBL8826783 0.80 SMN1; SMN2 (0.48) SMN1; SMN2RAB9ANPC1ALDH1A1ALOX15
SCHEMBL28543509 0.79 SMN1; SMN2 (0.47) SMN1; SMN2RAB9ANPC1ALDH1A1ALOX15
SCHEMBL10757407 0.74 SMN1; SMN2 (0.43) SMN1; SMN2RAB9ANPC1ALDH1A1ALOX15
SCHEMBL25787184 0.74 SMN1; SMN2 (0.43) SMN1; SMN2RAB9ANPC1ALDH1A1MAPT

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