SCHEMBL6985227

SCHEMBL6985227

NC(=S)Nc1cccc(C(F)(F)F)c1.[NaH]

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.69
ALDH1A1 P00352 7/20 0.68
MAPT P10636 7/20 0.68
NPSR1 Q6W5P4 5/20 0.68
GAA P10253 4/20 0.68
TDP1 Q9NUW8 2/20 0.68
L3MBTL1 Q9Y468 4/20 0.64
MEN1 O00255 4/20 0.62
KMT2A Q03164 4/20 0.62
SMN1; SMN2 Q16637 2/20 0.60
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2C19 P33261 1/20 0.60
KDM4E B2RXH2 2/20 0.59
HTT P42858 2/20 0.57
LMNA P02545 2/20 0.57
PKM P14618 1/20 0.57
RAB9A P51151 1/20 0.57

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
SCHEMBL230618 0.98 IDO1 (0.71) IDO1ALDH1A1MAPTNPSR1GAA
SCHEMBL9724981 0.86 IDO1 (0.69) IDO1ALDH1A1MAPTNPSR1GAA
SCHEMBL10340526 0.84 L3MBTL1 (0.71) IDO1ALDH1A1MAPTNPSR1GAA
SCHEMBL7175227 0.84 MAPT (0.86) IDO1ALDH1A1MAPTNPSR1GAA
SCHEMBL2467470 0.81 IDO1 (1.00) IDO1ALDH1A1MAPTNPSR1GAA
SCHEMBL27903789 0.81 MAPT (0.61) IDO1ALDH1A1MAPTNPSR1GAA
SCHEMBL11593120 0.81 MAPT (0.70) IDO1ALDH1A1MAPTNPSR1GAA
SCHEMBL20560252 0.81 MAPT (0.70) IDO1ALDH1A1MAPTNPSR1GAA
SCHEMBL1883169 0.81 CYP1A2 (0.61) IDO1ALDH1A1MAPTNPSR1GAA
SCHEMBL1999954 0.81 ALDH1A1 (0.61) IDO1ALDH1A1MAPTNPSR1GAA

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