SCHEMBL8620558

SCHEMBL8620558

CCCCSc1ccccn1.CN(C)c1ccc(C=C2SC(=S)NC2=O)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CRHBP P24387 3/20 0.60
▸ CRHR2 Q13324 3/20 0.60
▸ MEN1 O00255 1/20 0.51
▸ POLB P06746 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ GPR35 Q9HC97 1/20 0.51
▸ PIM1 P11309 2/20 0.47
▸ PIM2 Q9P1W9 1/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ MYC P01106 1/20 0.47
▸ MAX P61244 1/20 0.47
▸ PIK3CD O00329 1/20 0.46
▸ CSNK2A2 P19784 1/20 0.46
▸ PIK3CA P42336 1/20 0.46
▸ PIK3CG P48736 1/20 0.46
▸ CLK1 P49759 1/20 0.46
▸ CLK3 P49761 1/20 0.46
▸ CSNK2B P67870 1/20 0.46
▸ CSNK2A1 P68400 1/20 0.46

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
SCHEMBL8614425 0.81 PIM1 (0.53) PIM1PIM2NPC1RAB9AMYC
SCHEMBL8620079 0.81 PTGS2 (0.61) MEN1POLBKMT2APIM1PIM2
SCHEMBL8616364 0.79 PIM1 (0.57) POLBPIM1PIM2NPC1RAB9A
SCHEMBL8618308 0.79 MTOR (0.47) MEN1KMT2APIM1PIM2PIK3CA
SCHEMBL8640744 0.79 HPGD (0.47) MEN1KMT2APIM1PIM2NPC1
SCHEMBL8617896 0.79 GSK3B (0.61) MEN1KMT2APIM1PIM2NPC1
SCHEMBL194557 0.78 CRHBP (1.00) CRHBPCRHR2MEN1POLBKMT2A
SCHEMBL194558 0.78 CRHBP (1.00) CRHBPCRHR2MEN1POLBKMT2A
SCHEMBL1249935 0.78 CRHBP (1.00) CRHBPCRHR2MEN1POLBKMT2A
SCHEMBL8617338 0.76 GSK3B (0.57) MEN1POLBKMT2APIM1PIM2

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
Send feedback