SCHEMBL9305087

SCHEMBL9305087

CCc1ccc2nc(C(CC(O)=S)C(O)=S)oc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.46
POLB P06746 2/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 6/20 0.37
RAB9A P51151 6/20 0.37
MEN1 O00255 5/20 0.37
ALDH1A1 P00352 5/20 0.37
KMT2A Q03164 5/20 0.37
SMN1; SMN2 Q16637 5/20 0.37
NPC1 O15118 5/20 0.37
GAA P10253 3/20 0.37
KDM4E B2RXH2 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
ALOX15 P16050 2/20 0.37
HTT P42858 2/20 0.37
HSD17B10 Q99714 3/20 0.36
TSHR P16473 1/20 0.36
HDAC4 P56524 1/20 0.35
HPGD P15428 2/20 0.35
NFKB1 P19838 1/20 0.35

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
SCHEMBL9305097 0.90 MAPT (0.49) MAPTPOLBLMNATP53RAB9A
SCHEMBL8972635 0.82 TP53 (0.49) MAPTTP53RAB9AMEN1ALDH1A1
SCHEMBL9305516 0.82 TLR4 (0.44) MAPTTP53RAB9AMEN1KMT2A
SCHEMBL8972447 0.82 NPC1 (0.42) MAPTPOLBLMNATP53RAB9A
SCHEMBL9306804 0.82 PIK3CG (0.44) MAPTLMNARAB9AALDH1A1SMN1; SMN2
SCHEMBL10888964 0.81 ALDH1A1 (0.42) MAPTPOLBLMNATP53RAB9A
SCHEMBL8972323 0.79 NPC1 (0.42) MAPTLMNATP53RAB9AMEN1
SCHEMBL9304714 0.79 HDAC4 (0.36) MAPTPOLBLMNATP53ALDH1A1
SCHEMBL10893576 0.79 POLB (0.36) MAPTPOLBLMNATP53RAB9A
SCHEMBL12318134 0.79 MAPT (0.61) MAPTPOLBLMNATP53RAB9A

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 3 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
US-4612049-A BENZOTHI ZOLYL THIO-, BENZIMIDAZOLYLTHIO- OR BENZOXAZOLYLTHIO-SUBSTITUTED CARBOXY ACID CIBA-GEIGY CORPORATION (US) 1986-09-16 US disclosed