SCHEMBL9304946

SCHEMBL9304946

CC(C)(C)CC(C)(C)c1ccc2nc(S)sc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 3/20 0.40
EPHX2 P34913 1/20 0.39
SCN4A P35499 1/20 0.39
SHBG P04278 1/20 0.39
PPARA Q07869 1/20 0.36
DYRK1A Q13627 1/20 0.35
CYP3A4 P08684 3/20 0.35
CYP2D6 P10635 1/20 0.35
HIF1A Q16665 1/20 0.35
ACP1 P24666 1/20 0.34
CSNK1G2 P78368 1/20 0.33
MAP3K5 Q99683 1/20 0.33
SMN1; SMN2 Q16637 5/20 0.33
RAB9A P51151 3/20 0.33
NPC1 O15118 2/20 0.33
MAPT P10636 2/20 0.32
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
ESR1 P03372 1/20 0.32
TP53 P04637 1/20 0.32

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
SCHEMBL11108801 0.82 SCN4A (0.44) CSNK1DEPHX2SCN4APPARADYRK1A
SCHEMBL9304400 0.82 KMT2A (0.49) CSNK1DEPHX2SCN4ASHBGPPARA
SCHEMBL1747959 0.76 EPHX2 (0.65) CSNK1DEPHX2SCN4APPARADYRK1A
SCHEMBL10762518 0.73 PPARA (0.48) CSNK1DPPARADYRK1AACP1SMN1; SMN2
SCHEMBL9306454 0.73 CSNK1D (0.39) CSNK1DPPARADYRK1AACP1ALDH1A1
SCHEMBL9306457 0.71 CSNK1D (0.35) CSNK1DEPHX2SCN4ASHBGPPARA
SCHEMBL10762513 0.71 PPARA (0.48) CSNK1DPPARADYRK1ASMN1; SMN2MAPT
SCHEMBL9306032 0.70 SHBG (0.39) CSNK1DSHBGCYP3A4CYP2D6HIF1A
SCHEMBL9304978 0.70 SCN10A (0.43) CSNK1DSHBGDYRK1ACYP3A4CYP2D6
SCHEMBL1094500 0.70 APP (0.47) EPHX2SCN4ASMN1; SMN2RAB9ANPC1

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-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
EP-0129506-B1 HETEROCYCLICALLY SUBSTITUTED THIO(CYCLO)ALKANE POLYCARBOXYLIC ACIDS CIBA-GEIGY AG (CH) 1991-03-06 EP disclosed
EP-0129506-A2 Heterocyclically substituted thio(cyclo)alkane polycarboxylic acids CIBA-GEIGY AG (CH) 1984-12-27 EP disclosed