SCHEMBL8972467

SCHEMBL8972467

Nc1ccc2nc(C(CC(=O)O)C(O)=S)oc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.40
KDM4E B2RXH2 2/20 0.40
NPC1 O15118 2/20 0.40
ALDH1A1 P00352 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
HDAC4 P56524 2/20 0.40
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
TP53 P04637 4/20 0.35
F7 P08709 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34

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
SCHEMBL8972447 0.90 NPC1 (0.42) MAPTKDM4ENPC1ALDH1A1RAB9A
SCHEMBL9306816 0.85 PIK3CG (0.42) MAPTALDH1A1RAB9AHDAC4LMNA
SCHEMBL9305528 0.82 RAB9A (0.44) MAPTKDM4ENPC1RAB9AMEN1
SCHEMBL9305097 0.82 MAPT (0.49) MAPTKDM4ENPC1ALDH1A1RAB9A
SCHEMBL8972338 0.82 HDAC3 (0.46) MAPTKDM4ENPC1ALDH1A1RAB9A
Methylamine SCHEMBL10867855 0.82 HDAC4 (0.43) MAPTKDM4ENPC1ALDH1A1RAB9A
SCHEMBL10888980 0.81 MAPT (0.43) MAPTNPC1ALDH1A1RAB9ASMN1; SMN2
Ammonia Solution, Strong SCHEMBL10865678 0.81 HDAC3 (0.45) MAPTKDM4ENPC1ALDH1A1RAB9A
SCHEMBL8972643 0.81 TP53 (0.53) MAPTKDM4EALDH1A1RAB9ASMN1; SMN2
SCHEMBL9305822 0.81 MAPT (0.48) MAPTKDM4ENPC1ALDH1A1RAB9A

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-5549847-A STIRRING A FILTER CAKE OF CORROSION INHIBITOR WITH DISPERSANT AND THICKENER; STORAGE STABILITY CIBA-GEIGY CORPORATION (US) 1996-08-27 US disclosed
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