SCHEMBL8973276

SCHEMBL8973276

Nc1ccc2nc(C(CC(O)=S)C(O)=S)sc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.44
MAPT P10636 12/20 0.43
ALDH1A1 P00352 6/20 0.43
GAA P10253 5/20 0.43
KDM4E B2RXH2 4/20 0.43
HPGD P15428 4/20 0.43
GLA P06280 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
PKM P14618 2/20 0.43
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
TP53 P04637 2/20 0.42
THRB P10828 1/20 0.42
KEAP1 Q14145 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA4 P22748 1/20 0.40
POLB P06746 2/20 0.40
PTBP1 P26599 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
SCHEMBL8973284 0.90 MEN1 (0.44) SMN1; SMN2MAPTALDH1A1GAAKDM4E
SCHEMBL8972427 0.84 NPC1 (0.41) SMN1; SMN2MAPTALDH1A1GAAKDM4E
SCHEMBL8972403 0.82 RAB9A (0.49) SMN1; SMN2MAPTALDH1A1KDM4EHPGD
SCHEMBL8971595 0.81 SMN1; SMN2 (0.50) SMN1; SMN2MAPTALDH1A1MEN1KMT2A
SCHEMBL8972966 0.81 CYP1A2 (0.48) SMN1; SMN2MAPTALDH1A1HPGDMEN1
SCHEMBL9443141 0.81 APP (0.42) SMN1; SMN2MAPTALDH1A1KDM4EMEN1
SCHEMBL402776 0.80 HPGD (0.53) SMN1; SMN2MAPTALDH1A1GAAHPGD
Methylamine SCHEMBL9443278 0.80 LOXL2 (0.51) SMN1; SMN2MAPTALDH1A1GAAKDM4E
Ammonia Solution, Strong SCHEMBL7032984 0.79 HPGD (0.51) SMN1; SMN2MAPTALDH1A1GAAHPGD
SCHEMBL9305793 0.79 ALDH1A1 (0.52) SMN1; SMN2MAPTALDH1A1GAAKDM4E

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 7 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
EP-0375614-B1 CORROSION-INHIBITING COATING COMPOSITIONS CIBA-GEIGY AG (CH) 1993-03-31 EP disclosed
US-5198482-A Benzothiazole carboxylic acid amine salt CIBA-GEIGY CORPORATION (US) 1993-03-30 US disclosed
US-5152929-A Corrosion inhibitors for water systems CIBA-GEIGY CORPORATION (US) 1992-10-06 US disclosed
EP-0375614-A1 Corrosion-inhibiting coating compositions CIBA-GEIGY AG (CH) 1990-06-27 EP disclosed
US-4612049-A BENZOTHI ZOLYL THIO-, BENZIMIDAZOLYLTHIO- OR BENZOXAZOLYLTHIO-SUBSTITUTED CARBOXY ACID CIBA-GEIGY CORPORATION (US) 1986-09-16 US disclosed