SCHEMBL8696233

SCHEMBL8696233

COC(=O)Cc1nc(S)nc2[nH]cnc12

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 4/20 0.36
MAPT P10636 2/20 0.35
GAA P10253 2/20 0.35
KDM5B Q9UGL1 1/20 0.35
ALDH1A1 P00352 3/20 0.33
HSD17B10 Q99714 1/20 0.33
GABRR1 P24046 1/20 0.33
HSP90AB1 P08238 1/20 0.32
TSHR P16473 1/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
TP53 P04637 1/20 0.31
USP2 O75604 1/20 0.31
CYP4F2 P78329 1/20 0.30
CYP4A11 Q02928 1/20 0.30

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
SCHEMBL9465175 0.77 HPGD (0.35) KDM4E
SCHEMBL9081763 0.77 KDM4E (0.39) SMN1; SMN2KDM4EMAPTGAAKDM5B
SCHEMBL3388656 0.77
SCHEMBL8642690 0.72 HRH3 (0.35) ALDH1A1
SCHEMBL9465613 0.72 HRH3 (0.35) ALDH1A1
SCHEMBL1619168 0.71 LMNA (0.33)
SCHEMBL14606466 0.70 GABRR1 (0.43) SMN1; SMN2KDM4EMAPTGAAKDM5B
SCHEMBL10435357 0.70 CDK1 (0.31)
SCHEMBL9443825 0.69 HRH3 (0.33)
SCHEMBL16145714 0.69 GDA (0.38) KDM4EGAAALDH1A1HSP90AB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5731320-A TREATING PATIENT IN NEED OF IMMUNOSUPPRESSIVE, ANTIINFLAMMATORY OR ANTIPROLIFERATIVE THERAPY ABBOTT LABORATORIES (US) 1998-03-24 US disclosed
US-5672605-A ADMINISTERING TO TREAT AUTOIMMUNE DISORDERS, TRANSPLANT REJECTION ABBOTT LABORATORIES (US) 1997-09-30 US disclosed
US-5643918-A MACROCYCLIC COMPOUNDS TO REVERSE DRUG RESISTANCE, VIRICIDES, ANTIINFLAMMATORY AGENTS AND FUNGICIDES ABBOTT LABORATORIES (US) 1997-07-01 US disclosed
US-5583139-A Marcolide immunomodulators ABBOTT LABORATORIES (US) 1996-12-10 US disclosed
US-5563172-A MICROBIOCIDES, FUNGICIDES, VIRICIDES, ANTIINFLAMMATORY AGENTS, ANTIGROWTH AGENTS ABBOTT LABORATORIES (US) 1996-10-08 US disclosed
EP-0729471-A1 SEMISYNTHETIC ANALOGS OF RAPAMYCIN (MACROLIDES) BEING IMMUNOMODULATORS Abbott Laboratories (US) 1996-09-04 EP disclosed
US-5527907-A IMMUNOSUPPRESSANTS ABBOTT LABORATORIES (US) 1996-06-18 US disclosed
WO-1995014023-A1 SEMISYNTHETIC ANALOGS OF RAPAMYCIN (MACROLIDES) BEING IMMUNOMODULATORS ABBOTT LABORATORIES (US) 1995-05-26 WO disclosed
WO-1994021642-A1 MACROCYCLIC AMIDE AND UREA IMMUNOMODULATORS ABBOTT LABORATORIES (US) 1994-09-29 WO disclosed