SCHEMBL7684043

SCHEMBL7684043

COc1ccc(Cn2nnnc2OC)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.54
PKM P14618 1/20 0.54
GAA P10253 4/20 0.50
TSHR P16473 3/20 0.50
ALOX15 P16050 2/20 0.50
POLB P06746 1/20 0.49
ERCC5 P28715 1/20 0.49
FEN1 P39748 1/20 0.49
KDM4E B2RXH2 3/20 0.48
MAPT P10636 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
HTT P42858 3/20 0.47
LMNA P02545 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CMA1 P23946 1/20 0.46
TOP2A P11388 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL28210571 0.85 LMNA (0.57) ALDH1A1TSHRPOLBHTTLMNA
SCHEMBL1768224 0.83 ALDH1A1 (0.54) ALDH1A1PKMGAATSHRALOX15
SCHEMBL19732308 0.83 ALDH1A1 (0.54) ALDH1A1PKMGAATSHRALOX15
Hydrochloric Acid SCHEMBL27925071 0.83 LMNA (0.55) ALDH1A1GAATSHRPOLBHTT
SCHEMBL7433479 0.82 ALDH1A1 (0.53) ALDH1A1PKMGAATSHRALOX15
SCHEMBL4132569 0.82 ALDH1A1 (0.53) ALDH1A1PKMGAATSHRALOX15
SCHEMBL4631721 0.82 ALDH1A1 (0.53) ALDH1A1PKMGAATSHRALOX15
SCHEMBL7148471 0.81 ALDH1A1 (0.62) ALDH1A1PKMGAATSHRALOX15
SCHEMBL19726570 0.80 ALDH1A1 (0.51) ALDH1A1PKMGAATSHRALOX15
SCHEMBL1768222 0.80 ALDH1A1 (0.51) ALDH1A1PKMGAATSHRALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1910151-A Cyclic amine derivative with heteroaryl ring SANKYO CO (JP) 2007-02-07 CN disclosed
US-6376484-B1 FOR PREVENTION AND/OR TREATMENT OF VARIOUS KINDS OF INFLAMMATORY DISEASE ONO PHARMACEUTICAL CO., LTD. (JP) 2002-04-23 US disclosed
US-6136834-A TETRAZOLE PEPTIDES ONO PHARMACEUTICAL CO., LTD. (JP) 2000-10-24 US disclosed
EP-0900791-A1 TETRAZOLE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 1999-03-10 EP disclosed