SCHEMBL8632874

SCHEMBL8632874

O=C(O)c1csc(-c2cs[c]n2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 4/20 0.42
KDM4A O75164 5/20 0.35
KDM5C P41229 5/20 0.35
KDM5B Q9UGL1 5/20 0.35
KDM4B O94953 4/20 0.35
KDM6B O15054 2/20 0.35
KDM2A Q9Y2K7 2/20 0.35
KDM3A Q9Y4C1 2/20 0.35
KDM4E B2RXH2 3/20 0.32
ALDH1A1 P00352 2/20 0.32
IKBKE Q14164 1/20 0.32
TBK1 Q9UHD2 1/20 0.32
HCAR2 Q8TDS4 2/20 0.32
RARA P10276 1/20 0.32
RARB P10826 1/20 0.32
RARG P13631 1/20 0.32
POLB P06746 2/20 0.30
GAA P10253 1/20 0.30
HTT P42858 1/20 0.30
RAB9A P51151 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
SCHEMBL9929411 0.75 DAO (0.60) DAOKDM4AKDM5CKDM5BKDM6B
SCHEMBL17626098 0.72 KMO (0.51) KDM4AKDM5CKDM5BKDM4BKDM6B
SCHEMBL937917 0.69 DAO (0.41) DAOKDM4AKDM5CKDM5BKDM4B
SCHEMBL938585 0.69 DAO (0.41) DAOKDM4AKDM5CKDM5BKDM4B
SCHEMBL940633 0.68 DAO (0.47) DAOKDM4AKDM5CKDM5BKDM4B
SCHEMBL939441 0.68 JMJD6 (0.54) DAOKDM4AKDM5CKDM5BKDM4B
SCHEMBL939466 0.67 NAPRT (0.52) DAOKDM4AKDM5CKDM5BKDM6B
SCHEMBL13992625 0.66 KDM5C (0.49) DAOKDM4AKDM5CKDM5BKDM4B
SCHEMBL938500 0.66 KMO (0.52) DAOKDM4EALDH1A1POLBGAA
SCHEMBL939164 0.62 GPR35 (0.45) DAOIKBKETBK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE35754-E FOR TREATING BACTERIAL INFECTIONS HOECHST AKTIENGESELLSCHAFT (DE) 1998-03-24 US disclosed
US-5710146-A ANTIBIOTICS FOR BACTERICIDES HOECHST AKTIENGESELLSCHAFT (DE) 1998-01-20 US disclosed
US-5089490-A Cephem derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1992-02-18 US disclosed
US-4758556-A Cephem derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1988-07-19 US disclosed
US-4399131-A Cephem derivatives HOECHST AG (DE) 1983-08-16 US disclosed
US-4278793-A ANTIBIOTICS, BACTERICIDES HOECHST AKTIENGESELLSCHAFT (DE) 1981-07-14 US disclosed