SCHEMBL9304822

SCHEMBL9304822

CCc1ccc2nc(S)oc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.41
SMN1; SMN2 Q16637 7/20 0.41
MAPT P10636 7/20 0.41
NPC1 O15118 7/20 0.41
MEN1 O00255 5/20 0.41
ALDH1A1 P00352 5/20 0.41
KMT2A Q03164 5/20 0.41
KDM4E B2RXH2 5/20 0.41
TP53 P04637 4/20 0.41
HSD17B10 Q99714 3/20 0.41
HPGD P15428 3/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
GAA P10253 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
TSHR P16473 1/20 0.41
ALOX15 P16050 2/20 0.40
HTT P42858 1/20 0.40
USP2 O75604 1/20 0.38

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
SCHEMBL28172475 0.82 KDM4E (0.35) RAB9ASMN1; SMN2MAPTNPC1MEN1
SCHEMBL8170906 0.80 TAS1R3 (0.46) RAB9ASMN1; SMN2MAPTNPC1MEN1
SCHEMBL10222344 0.80 GAA (0.53) RAB9ASMN1; SMN2MAPTNPC1MEN1
SCHEMBL253529 0.79 PIK3CG (0.56) RAB9ASMN1; SMN2MAPTNPC1MEN1
SCHEMBL9305682 0.79 RAB9A (0.46) RAB9ASMN1; SMN2MAPTNPC1MEN1
SCHEMBL21231323 0.76 LMNA (0.41) RAB9ASMN1; SMN2MAPTNPC1MEN1
SCHEMBL20884011 0.76 MAPT (0.39) RAB9ASMN1; SMN2MAPTNPC1MEN1
SCHEMBL12318134 0.76 MAPT (0.61) RAB9AMAPTNPC1TP53POLB
SCHEMBL10271390 0.76 NPC1 (0.64) RAB9ASMN1; SMN2MAPTNPC1MEN1
SCHEMBL2538594 0.76 KDM4E (0.59) RAB9ASMN1; SMN2MAPTNPC1MEN1

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 2 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
EP-0129506-A2 Heterocyclically substituted thio(cyclo)alkane polycarboxylic acids CIBA-GEIGY AG (CH) 1984-12-27 EP disclosed