SCHEMBL6978792

SCHEMBL6978792

COc1ccc(CNC(N)=S)cc1.N#C[Na]

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.61
PKM P14618 1/20 0.61
LMNA P02545 2/20 0.51
MAOB P27338 2/20 0.48
KMT2A Q03164 2/20 0.48
MAOA P21397 1/20 0.48
ATM Q13315 1/20 0.48
MEN1 O00255 1/20 0.48
ALOX12 P18054 1/20 0.48
MAPT P10636 2/20 0.47
HTT P42858 1/20 0.47
GAA P10253 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
KDM4E B2RXH2 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
SCHEMBL318068 0.91 ALDH1A1 (0.73) ALDH1A1PKMLMNAMAOBKMT2A
SCHEMBL27516416 0.89 ALDH1A1 (0.71) ALDH1A1PKMLMNAMAOBKMT2A
SCHEMBL9177530 0.79 ALDH1A1 (0.71) ALDH1A1PKMLMNAMAOBKMT2A
SCHEMBL3822991 0.77 ALDH1A1 (1.00) ALDH1A1PKMLMNAMAOBKMT2A
SCHEMBL10565349 0.76 ALDH1A1 (0.67) ALDH1A1PKMLMNAMAOBKMT2A
SCHEMBL6979345 0.76 ALDH1A1 (0.58) ALDH1A1LMNAMAOBKMT2AMAOA
SCHEMBL6978794 0.76 ALDH1A1 (0.71) ALDH1A1PKMLMNAMAOBKMT2A
SCHEMBL11197686 0.75 ALDH1A1 (0.76) ALDH1A1PKMLMNAMAOBKMT2A
SCHEMBL6211890 0.74 ALDH1A1 (0.80) ALDH1A1PKMLMNAMAOBKMT2A
SCHEMBL4109285 0.74 ALDH1A1 (0.69) ALDH1A1PKMLMNAMAOBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1228058-A4 BENZOPYRANYL GUANIDINE DERIVATIVES, PROCESS FOR PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DONGBU HANNONG CHEMICAL CO LTD (KR) 2003-02-12 EP disclosed
EP-1228058-A1 BENZOPYRANYL GUANIDINE DERIVATIVES, PROCESS FOR PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Dongbu Hannong Chemical Co., Ltd. (KR) 2002-08-07 EP disclosed
WO-2001029023-A1 BENZOPYRANYL GUANIDINE DERIVATIVES, PROCESS FOR PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2001-04-26 WO disclosed