SCHEMBL7674791

SCHEMBL7674791

CC(C)(C)C1CCc2nc3ccccc3c(N)c2C1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.72
MEN1 O00255 1/20 0.72
MAPT P10636 1/20 0.72
KMT2A Q03164 1/20 0.72
SMN1; SMN2 Q16637 1/20 0.72
NPSR1 Q6W5P4 1/20 0.72
ACHE P22303 7/20 0.65
BCHE P06276 5/20 0.55
ALDH1A1 P00352 3/20 0.55
TSHR P16473 2/20 0.55
HSD17B10 Q99714 2/20 0.55
CYP1A2 P05177 2/20 0.55
CYP2D6 P10635 2/20 0.55
KDM4E B2RXH2 2/20 0.55
CACNB4 O00305 1/20 0.55
CACNA1A O00555 1/20 0.55
SLC22A2 O15244 1/20 0.55
SLC22A1 O15245 1/20 0.55
ABCC4 O15439 1/20 0.55
CACNA1G O43497 1/20 0.55

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
SCHEMBL29992327 0.83 MAPT (0.70) MAPK1MEN1MAPTKMT2ASMN1; SMN2
SCHEMBL28606634 0.83 MAPT (0.70) MAPK1MEN1MAPTKMT2ASMN1; SMN2
SCHEMBL25847588 0.82 ACHE (0.70) MAPK1ACHEBCHEALDH1A1TSHR
SCHEMBL9547653 0.79 ACHE (1.00) MAPK1ACHEBCHEALDH1A1TSHR
SCHEMBL24357492 0.78 MAPT (0.60) MAPK1MEN1MAPTKMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL9547702 0.78 ACHE (0.97) MAPK1ACHEBCHEALDH1A1TSHR
SCHEMBL9547666 0.74 ACHE (0.62) MAPK1ACHEBCHEALDH1A1TSHR
SCHEMBL22259795 0.73 MAPT (0.57) MAPK1MEN1MAPTKMT2ASMN1; SMN2
SCHEMBL22235378 0.72 MAPT (0.56) MAPK1MEN1MAPTKMT2ASMN1; SMN2
SCHEMBL9547699 0.72 ACHE (0.60) MAPK1MEN1KMT2AACHEBCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002072025-A2 IMPROVING POSTSYNAPTIC RESPONSE BY A COMBINATION OF 4-MINOPYRIDINE AND AGONIST THE GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF HEALTH AND HUMAN SERVICES (US) 2002-09-19 WO disclosed