SCHEMBL6986158

SCHEMBL6986158

N#CNC(=S)Nc1cccc(C(F)(F)F)c1.[Na]

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.68
ALDH1A1 P00352 6/20 0.68
GAA P10253 5/20 0.68
NPSR1 Q6W5P4 5/20 0.68
TDP1 Q9NUW8 3/20 0.68
IDO1 P14902 1/20 0.64
MEN1 O00255 4/20 0.61
KMT2A Q03164 4/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
CYP1A2 P05177 2/20 0.61
CYP3A4 P08684 2/20 0.61
CYP2D6 P10635 2/20 0.61
CYP2C19 P33261 2/20 0.61
L3MBTL1 Q9Y468 3/20 0.59
KDM4E B2RXH2 2/20 0.59
LMNA P02545 3/20 0.57
HTT P42858 2/20 0.56
XBP1 P17861 2/20 0.56
TP53 P04637 1/20 0.56
S1PR3 Q99500 1/20 0.56

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
SCHEMBL8983504 0.98 MAPT (0.69) MAPTALDH1A1GAANPSR1TDP1
SCHEMBL6986153 0.97 MAPT (0.68) MAPTALDH1A1GAANPSR1TDP1
SCHEMBL7175227 0.84 MAPT (0.86) MAPTALDH1A1GAANPSR1TDP1
SCHEMBL4679918 0.81 MAPT (0.53) MAPTALDH1A1GAANPSR1TDP1
SCHEMBL22567938 0.80 MAPT (0.78) MAPTALDH1A1GAANPSR1TDP1
SCHEMBL8983532 0.80 CDK1 (0.55) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL22567749 0.80 MAPT (0.78) MAPTALDH1A1GAANPSR1TDP1
SCHEMBL4685324 0.78 IDO1 (0.63) MAPTALDH1A1GAANPSR1IDO1
SCHEMBL12412637 0.78 ALDH1A1 (0.76) MAPTALDH1A1GAANPSR1TDP1
SCHEMBL6979193 0.78 CDK1 (0.54) MAPTALDH1A1GAAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1228058-B1 BENZOPYRANYL GUANIDINE DERIVATIVES, PROCESS FOR PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DONGBU HANNONG CHEMICAL CO LTD (KR) 2003-12-10 EP disclosed
US-6323238-B1 CARDIOVASCULAR DISORDERS, NERVOUS SYSTEM DISORDERS DONGBU HANNONG CHEMICAL CO., LTD. (KR) 2001-11-27 US disclosed