SCHEMBL8618302

SCHEMBL8618302

CCCCSc1ccccn1.O=C1NC(=Cc2ccccn2)C(=O)S1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.37
▸ RAB9A P51151 3/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ ALDH1A1 P00352 4/20 0.36
▸ LMNA P02545 1/20 0.36
▸ HPGD P15428 4/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ CRBN Q96SW2 1/20 0.35
▸ CSNK2A2 P19784 1/20 0.35
▸ CLK1 P49759 1/20 0.35
▸ CSNK2B P67870 1/20 0.35
▸ CSNK2A1 P68400 1/20 0.35
▸ DYRK1A Q13627 1/20 0.35
▸ DYRK2 Q92630 1/20 0.35
▸ DYRK1B Q9Y463 1/20 0.35
▸ MAPT P10636 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ POLB P06746 1/20 0.34

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
SCHEMBL8618308 0.87 MTOR (0.47) HPGDKMT2APPARGMTOR
SCHEMBL8614423 0.87 CSNK2A2 (0.40) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL8619553 0.86 GSK3B (0.40) NPC1RAB9AALDH1A1LMNAHPGD
SCHEMBL8616362 0.85 CLK1 (0.58) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL8617892 0.85 GSK3B (0.45) RAB9ASMN1; SMN2ALDH1A1LMNAHPGD
SCHEMBL8640740 0.85 ALDH1A1 (0.45) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL8619011 0.81 PTGS2 (0.44) ALDH1A1KMT2A
SCHEMBL8614425 0.77 PIM1 (0.53) NPC1RAB9AHPGDPPARG
SCHEMBL8616364 0.76 PIM1 (0.57) NPC1RAB9AHPGDCSNK2A2CLK1
SCHEMBL8617338 0.76 GSK3B (0.57) NPC1RAB9ASMN1; SMN2LMNAHPGD

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
US-5767121-A ANTIINFLAMMATORY AND -ARTHRITIC AGENTS; ANTIPYRETICS; ANALGESICS; ADHESION PROTEIN EXPRESSION AND CYCLOXYGENASE AND 5-LIPOXYGENASE INHIBITORS; IMMUNOSUPPRESSANTS AND -MODULATORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-06-16 — — US disclosed
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