SCHEMBL6693392

SCHEMBL6693392

Nc1ccsc1.O=C1CSCN1

nearest known ligand 0.30

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
KCNH2 Q12809 1/20 0.30

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
SCHEMBL57039 0.74
SCHEMBL27475685 0.72
SCHEMBL27471834 0.72
SCHEMBL129324 0.72
SCHEMBL28199189 0.70
Hydrochloric Acid SCHEMBL1031787 0.70
SCHEMBL29575307 0.70
Guanidine SCHEMBL28241541 0.67
Oxalic Acid SCHEMBL198073 0.65 LCK (0.48) IKBKBALDH1A1MAPTHDAC6
Phosphonic Acid SCHEMBL27762789 0.65 CES2 (0.39) IKBKBALDH1A1MAPTHDAC6KCNH2

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
WO-2004035614-A1 SYNTHETIC OR PARTIALLY PURIFIED PEPTIDES WHICH CAN BIND TO SPECIFIC SUBUNITS OF G PROTEINS AND USES THEREOF KARO BIO AB (SE) 2004-04-29 WO disclosed
EP-0937253-A1 IDENTIFICATION OF DRUGS USING COMPLEMENTARY COMBINATORIAL LIBRARIES Novalon Pharmaceutical Corporation (US) 1999-08-25 EP disclosed
WO-1998019162-A9 IDENTIFICATION OF DRUGS USING COMPLEMENTARY COMBINATORIAL LIBRARIES 1998-07-09 WO disclosed
WO-1998019162-A1 IDENTIFICATION OF DRUGS USING COMPLEMENTARY COMBINATORIAL LIBRARIES NOVALON PHARMACEUTICAL CORPORATION (US) 1998-05-07 WO disclosed