SCHEMBL6179554

SCHEMBL6179554

c1c[nH]c(-c2cscn2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 8/20 0.46
METAP2 P50579 5/20 0.46
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 1/20 0.46
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
CYP2D6 P10635 1/20 0.46
TSHR P16473 1/20 0.46
CYP2C19 P33261 1/20 0.46
RAB9A P51151 1/20 0.46
FKBP1A P62942 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HIF1A Q16665 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
F2RL1 P55085 1/20 0.43
NISCH Q9Y2I1 2/20 0.41
MTOR P42345 1/20 0.41

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
SCHEMBL3684945 0.81 F2RL1 (0.49) METAP1METAP2KDM4ENPC1TP53
SCHEMBL7052235 0.78 F2RL1 (0.39) METAP1METAP2KDM4ENPC1TP53
SCHEMBL7964249 0.71 TSHR (0.50) METAP1METAP2KDM4ENPC1TP53
SCHEMBL81650 0.71 NISCH (0.59) KDM4ECYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL4330331 0.69 METAP1 (0.41) METAP1METAP2KDM4ENPC1TP53
SCHEMBL1222298 0.69 NISCH (0.39) KDM4ENPC1CYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL1536214 0.69 NISCH (0.56) KDM4ECYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL28425230 0.69 NISCH (0.56) KDM4ECYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL30216772 0.69 NISCH (0.52) KDM4ENPC1TP53CYP1A2CYP3A4
SCHEMBL5491437 0.69

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
WO-2023286394-A1 HARMFUL ORGANISM CONTROL COMPOSITION 日本曹達株式会社 2023-01-19 WO disclosed
CN-103502519-B Be attached with the carbon fiber precursor acrylic series fiber bundle of oil agent composition and manufacture method thereof and carbon fiber precursor acrylic series fiber oil agent composition and carbon fiber precursor acrylic series fiber oil agent composition dispersion liquid MITSUBISHI RAYON CO.,LTD. (JP) 2015-08-12 CN disclosed
EP-1089973-B1 AMIDINO AND GUANIDINO AZETIDINONE TRYPTASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2005-11-09 EP disclosed
EP-1089973-A4 AMIDINO AND GUANIDINO AZETIDINONE TRYPTASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2001-12-12 EP disclosed
EP-1089973-A1 AMIDINO AND GUANIDINO AZETIDINONE TRYPTASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2001-04-11 EP disclosed
WO-1999067215-A1 AMIDINO AND GUANIDINO AZETIDINONE TRYPTASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 1999-12-29 WO disclosed