SCHEMBL9305811

SCHEMBL9305811

O=[N+]([O-])c1ccc2nc(C(CC(O)=S)C(O)=S)oc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.49
KMT2A Q03164 7/20 0.49
RAB9A P51151 6/20 0.49
MEN1 O00255 6/20 0.49
NPC1 O15118 5/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
ALDH1A1 P00352 4/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
DAGLA Q9Y4D2 2/20 0.43
GAA P10253 3/20 0.41
BLM P54132 1/20 0.41
KDM4E B2RXH2 3/20 0.41
LMNA P02545 2/20 0.40
CASP3 P42574 1/20 0.40
MMP2 P08253 2/20 0.39
MMP9 P14780 2/20 0.39
MMP8 P22894 2/20 0.39
MMP13 P45452 2/20 0.39
MCL1 Q07820 1/20 0.37
ATM Q13315 1/20 0.37

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
SCHEMBL9305822 0.92 MAPT (0.48) MAPTKMT2ARAB9AMEN1NPC1
SCHEMBL9305804 0.81 MAPT (0.49) MAPTKMT2ARAB9AMEN1NPC1
SCHEMBL8972447 0.79 NPC1 (0.42) MAPTKMT2ARAB9AMEN1NPC1
SCHEMBL9306804 0.79 PIK3CG (0.44) MAPTRAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL9304714 0.79 HDAC4 (0.36) MAPTALDH1A1LMNAPOLB
SCHEMBL9305516 0.77 TLR4 (0.44) MAPTKMT2ARAB9AMEN1NPC1
SCHEMBL9305087 0.77 MAPT (0.46) MAPTKMT2ARAB9AMEN1NPC1
SCHEMBL8972323 0.76 NPC1 (0.42) MAPTKMT2ARAB9AMEN1NPC1
SCHEMBL9305783 0.76 RAB9A (0.34) MAPTKMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL10888964 0.76 ALDH1A1 (0.42) MAPTKMT2ARAB9AMEN1NPC1

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