SCHEMBL12801524

SCHEMBL12801524

COc1cc2c(cc1OC)C(N)=CCC2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.50
MAPT P10636 2/20 0.50
ALDH1A1 P00352 2/20 0.50
KDM4E B2RXH2 1/20 0.50
GAA P10253 1/20 0.50
ABCB1 P08183 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CYP3A4 P08684 3/20 0.43
PKM P14618 1/20 0.43
RAD52 P43351 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40

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
SCHEMBL21360714 0.79 MAOA (0.56) MAOAMAPTALDH1A1KDM4EGAA
Hydrochloric Acid SCHEMBL11085129 0.77 ABCB1 (0.51) MAOAMAPTALDH1A1KDM4EGAA
SCHEMBL26546690 0.75 ALDH1A1 (0.47) MAOAMAPTALDH1A1KDM4EGAA
SCHEMBL1669168 0.74 KDM4E (0.46) MAOAMAPTALDH1A1KDM4EGAA
SCHEMBL28209834 0.71 PDE10A (0.47) MAOAMAPTALDH1A1KDM4EGAA
SCHEMBL8091018 0.69 MAOA (0.67) MAOAMAPTALDH1A1KDM4EGAA
SCHEMBL17361766 0.68 ABCB1 (0.43) MAOAMAPTALDH1A1KDM4EGAA
SCHEMBL14481557 0.67 MAPT (0.68) MAOAMAPTALDH1A1KDM4EGAA
SCHEMBL29924708 0.67 MAPT (0.68) MAOAMAPTALDH1A1KDM4EGAA
SCHEMBL2594537 0.67 MAPT (0.68) MAOAMAPTALDH1A1KDM4EGAA

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-2011043817-A1 COFERONS AND METHODS OF MAKING AND USING THEM CORNELL UNIVERSITY (US) 2011-04-14 WO disclosed