SCHEMBL18652835

SCHEMBL18652835

ClC(Cl)c1csc(C2CCNCC2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.44
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
AOC3 Q16853 1/20 0.38
BAZ2A Q9UIF9 2/20 0.38
PLAT P00750 1/20 0.33
GSK3B P49841 1/20 0.33
DYRK1A Q13627 1/20 0.33
HRH4 Q9H3N8 1/20 0.33
SLC6A3 Q01959 2/20 0.32
HTR2C P28335 2/20 0.32
HRH3 Q9Y5N1 1/20 0.32
SLC18A3 Q16572 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
BCHE P06276 1/20 0.31
ACHE P22303 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNA4 P43681 1/20 0.31

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
SCHEMBL1042507 0.74 HPGDS (0.47) HPGDSMEN1KMT2ANPC1RAB9A
SCHEMBL5458440 0.74 HPGDS (0.47) HPGDSMEN1KMT2ANPC1RAB9A
SCHEMBL26743326 0.74 SLC6A3 (0.37) SLC6A3
Hydrochloric Acid SCHEMBL17541611 0.72 HPGDS (0.46) HPGDSMEN1KMT2ANPC1RAB9A
SCHEMBL28007019 0.70 BAZ2A (0.41) HPGDSMEN1KMT2AAOC3BAZ2A
SCHEMBL27847313 0.70 ADRA2A (0.43) HPGDSMEN1KMT2ASLC6A3HTR2C
SCHEMBL4262991 0.70 HRH4 (0.50) HPGDSMEN1KMT2ANPC1RAB9A
SCHEMBL19850450 0.70 AOC3 (0.55) HPGDSMEN1KMT2ANPC1RAB9A
SCHEMBL2070496 0.70 HPGDS (0.44) HPGDSMEN1KMT2ANPC1RAB9A
SCHEMBL3687239 0.70 HPGDS (0.44) HPGDSMEN1KMT2ANPC1RAB9A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017047337-A1 METHOD FOR MANUFACTURING 4-(4-FORMYLTHIAZOLYL)PIPERIDINE COMPOUND 株式会社エス・ディー・エス バイオテック 2017-03-23 WO disclosed