SCHEMBL21076997

SCHEMBL21076997

COC(=O)C1(c2csc(NSC3CC3)n2)CCCC1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ HDAC1 Q13547 2/20 0.32
▸ GAA P10253 1/20 0.32
▸ CHRM3 P20309 1/20 0.32
▸ ATAD2 Q6PL18 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ PDE5A O76074 1/20 0.31
▸ HRH3 Q9Y5N1 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ TP53 P04637 1/20 0.31
▸ NPSR1 Q6W5P4 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
SCHEMBL21076995 0.79 CTPS1 (0.41) RAB9ANPC1POLBNPSR1
SCHEMBL14215419 0.76 HDAC1 (0.36) RAB9ANPC1HDAC1GAAALDH1A1
SCHEMBL21044072 0.76 HDAC1 (0.39) HDAC1GAAHRH3NPSR1
SCHEMBL32663074 0.73 CTPS1 (0.43) RAB9ANPC1POLBPDE5A
SCHEMBL5516039 0.73 TLR7 (0.36) HDAC1GAASMN1; SMN2NPSR1
SCHEMBL22869169 0.70 CTPS1 (0.40) PDE5A
SCHEMBL20640304 0.69 MEN1 (0.50) RAB9ANPC1POLBALDH1A1MAPT
SCHEMBL22758529 0.65 CTPS1 (0.37) ALDH1A1
SCHEMBL22869122 0.65 PDE5A (0.38) HDAC1ALDH1A1PDE5AMAPTTP53
SCHEMBL21044111 0.64 CTPS1 (0.44) HDAC1PDE5A

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
EP-3492454-A1 COMPOUNDS Step Pharma S.A.S. (FR) 2019-06-05 — — EP disclosed
Send feedback