SCHEMBL9550647

SCHEMBL9550647

COc1cc2c(cc1OC)CN=CC2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.48
CYP3A4 P08684 2/20 0.48
KDM4E B2RXH2 6/20 0.38
MAOA P21397 6/20 0.38
ALDH1A1 P00352 5/20 0.38
GAA P10253 1/20 0.38
CHRNA7 P36544 2/20 0.36
MAOB P27338 2/20 0.36
SLC6A4 P31645 1/20 0.36
GLA P06280 2/20 0.34
ACHE P22303 1/20 0.34
TP53 P04637 1/20 0.33
NTSR1 P30989 1/20 0.33
PKM P14618 1/20 0.33
RAD52 P43351 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
ALOX15 P16050 1/20 0.33
MAPK1 P28482 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL1706102 0.75 MAPT (0.59) MAPTCYP3A4KDM4EMAOAALDH1A1
SCHEMBL9669287 0.75 DRD2 (0.42) CHRNA7
SCHEMBL1787546 0.72 MAPT (0.62) MAPTCYP3A4KDM4EMAOAALDH1A1
SCHEMBL3948630 0.67 MAPT (0.43) MAPTCYP3A4KDM4EMAOAALDH1A1
SCHEMBL443555 0.67 MAOA (0.50) MAPTCYP3A4KDM4EMAOAALDH1A1
SCHEMBL12043446 0.67 HTR5A (0.37) MAPTKDM4EALDH1A1GAAACHE
SCHEMBL14481557 0.66 MAPT (0.68) MAPTCYP3A4KDM4EMAOAALDH1A1
SCHEMBL4571013 0.66 CYP3A4 (1.00) MAPTCYP3A4KDM4EMAOAALDH1A1
SCHEMBL22953335 0.66 CYP3A4 (1.00) MAPTCYP3A4KDM4EMAOAALDH1A1
SCHEMBL2594537 0.66 MAPT (0.68) MAPTCYP3A4KDM4EMAOAALDH1A1

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-0569380-A1 ACRIDINE DERIVATIVES. GLAXO LAB SA (FR) 1993-11-18 EP disclosed
WO-1992012132-A1 ACRIDINE DERIVATIVES LABORATOIRES GLAXO S.A. (FR) 1992-07-23 WO disclosed