SCHEMBL9548006

SCHEMBL9548006

CC(=S)c1ccc(C)c(C)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 1/20 0.52
PRSS2 P07478 1/20 0.52
PRSS3 P35030 1/20 0.52
ALDH1A1 P00352 6/20 0.50
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KMT2A Q03164 3/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 2/20 0.41
MITF O75030 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 3/20 0.40
TDP1 Q9NUW8 1/20 0.40
TP53 P04637 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.37
NR1H4 Q96RI1 1/20 0.37

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
SCHEMBL9643586 0.81 TP53 (0.50) ALDH1A1NPC1MAPTTDP1TP53
SCHEMBL11405390 0.80 PRSS1 (0.52) PRSS1PRSS2PRSS3ALDH1A1CES2
SCHEMBL4131940 0.79 CYP3A4 (0.45) ALDH1A1KMT2AMEN1NPC1MAPT
SCHEMBL25683797 0.79 PIM1 (0.41) PRSS1PRSS2PRSS3ALDH1A1CES2
SCHEMBL19841877 0.79 MAPT (0.61) PRSS1PRSS2PRSS3ALDH1A1HTT
SCHEMBL6112854 0.79 HDAC1 (0.53) ALDH1A1CES2CES1HTTKMT2A
SCHEMBL16955521 0.79 PRSS1 (0.56) PRSS1PRSS2PRSS3ALDH1A1CES2
SCHEMBL29757192 0.78 PRSS1 (0.61) PRSS1PRSS2PRSS3ALDH1A1CES2
SCHEMBL11063883 0.78 PRSS1 (0.61) PRSS1PRSS2PRSS3ALDH1A1CES2
SCHEMBL16955358 0.77 PRSS1 (0.54) PRSS1PRSS2PRSS3ALDH1A1CES2

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-5198587-A Adrenergic Blocking Agents, Hypotensive Agents YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1993-03-30 US disclosed
US-5063246-A Hypotensive YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1991-11-05 US disclosed
EP-0191496-B1 TRIAZINE DERIVATIVES, A PROCESS FOR PREPARING THE DERIVATIVES, AND HERBICIDES CONTAINING THE DERIVATIVES AS THE EFFECTIVE COMPONENT IDEMITSU KOSAN COMPANY LIMITED (JP) 1990-10-31 EP disclosed
US-4880841-A ADRENERGIC BLOCKING AGENTS, HYPOTENSIVE AGENTS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1989-11-14 US disclosed
US-4680054-A Triazine derivatives, a process for preparing the derivatives, and herbicides containing the derivatives as the effective component IDEMITSU KOSAN COMPANY LIMITED (JP) 1987-07-14 US disclosed
EP-0191496-A2 Triazine Derivatives, a process for preparing the derivatives, and herbicides containing the derivatives as the effective component IDEMITSU KOSAN COMPANY LIMITED (JP) 1986-08-20 EP disclosed
US-3954871-A ANTIARRHYTHMIA, VASODILATOR, HYPOTENSIVE CONTINENTAL PHARMA (BE) 1976-05-04 US disclosed