SCHEMBL9305849

SCHEMBL9305849

OC(=S)CC(C(O)=S)c1nc2cc(C(F)(F)F)ccc2s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.43
AKR1B1 P15121 12/20 0.43
AKR1A1 P14550 5/20 0.39
ILK Q13418 2/20 0.39
ALOX5 P09917 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
AKR1B10 O60218 1/20 0.37
GLO1 Q04760 1/20 0.37
NSD2 O96028 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
BLM P54132 1/20 0.36
MCL1 Q07820 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL9305859 0.90 AKR1B1 (0.49) DYRK1AAKR1B1AKR1A1ALOX5AKR1B10
SCHEMBL9443106 0.81 DYRK1A (0.49) DYRK1AAKR1B1AKR1A1ILKALOX5
SCHEMBL8972712 0.81 DYRK1A (0.41) DYRK1AAKR1B1AKR1A1MEN1KMT2A
SCHEMBL8973359 0.81 HDAC6 (0.45) AKR1B1ALOX5MEN1KMT2ALMNA
SCHEMBL9305844 0.79 DYRK1A (0.48) DYRK1AAKR1B1AKR1A1ALOX5AKR1B10
SCHEMBL8972942 0.79 NPC1 (0.52) DYRK1AMEN1KMT2AALDH1A1LMNA
SCHEMBL9443203 0.78 APP (0.36) MEN1KMT2AALDH1A1POLBMAPT
SCHEMBL9304883 0.78 NPC1 (0.50) DYRK1AILKALDH1A1HPGDSMN1; SMN2
SCHEMBL9306663 0.78 PPARA (0.43) DYRK1AMEN1KMT2AALDH1A1MAPT
SCHEMBL402776 0.77 HPGD (0.53) ALOX5MEN1KMT2AALDH1A1LMNA

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 6 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
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