SCHEMBL8777040

SCHEMBL8777040

[c]1nc2ccccc2cc1-c1nc2ncncc2[nH]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 4/20 0.51
METAP1 P53582 3/20 0.51
NPY5R Q15761 1/20 0.42
EGFR P00533 1/20 0.37
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35
ADORA3 P0DMS8 3/20 0.33
KDM4E B2RXH2 5/20 0.32
NPC1 O15118 3/20 0.32
RAB9A P51151 3/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
ALDH1A1 P00352 3/20 0.32
MAPT P10636 2/20 0.32
HPGD P15428 1/20 0.32
STAT1 P42224 1/20 0.32
PKM P14618 2/20 0.32
ABCB11 O95342 1/20 0.32
TP53 P04637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL9763547 0.82 METAP1 (0.51) METAP2METAP1
SCHEMBL2991589 0.78 NPC1 (0.56) METAP2METAP1KDM4ENPC1RAB9A
SCHEMBL369485 0.75 METAP2 (0.61) METAP2METAP1NPY5RADORA3KDM4E
SCHEMBL20465968 0.74 NPY5R (0.52) METAP2METAP1NPY5REGFRPIK3CD
SCHEMBL467132 0.74 METAP2 (0.57) METAP2METAP1NPY5REGFRADORA3
SCHEMBL183635 0.73 METAP1 (0.56) METAP2METAP1NPY5RPTGDR2
SCHEMBL2396563 0.71 METAP2 (0.57) METAP2METAP1NPY5RKDM4ENPC1
SCHEMBL10965168 0.71 METAP2 (0.57) METAP2METAP1NPY5RPIK3CDPIK3CA
SCHEMBL302153 0.71 EGFR (0.40) EGFRPIK3CDPIK3CAKDM4ENPC1
SCHEMBL680854 0.71 METAP2 (0.65) METAP2METAP1NPY5RADORA3NPC1

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
EP-0811629-A1 OPTICALLY ACTIVE BIDENTATE PHOSPHINE LIGAND/PALLADIUM COMPLEX NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1997-12-10 EP disclosed