SCHEMBL7455246

SCHEMBL7455246

COc1[c][nH]c2cccc(-c3cnccn3)c12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.36
ADRA1A P35348 2/20 0.36
ADRA1B P35368 2/20 0.36
MAPK1 P28482 1/20 0.36
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
HSD17B10 Q99714 2/20 0.34
POLB P06746 1/20 0.34
NR4A1 P22736 1/20 0.34
ESR2 Q92731 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
GRM5 P41594 1/20 0.33
RECQL P46063 2/20 0.33
CYP3A4 P08684 2/20 0.33
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
ADRA1D P25100 1/20 0.33
HTT P42858 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
SCHEMBL7111089 0.84 SMN1; SMN2 (0.42) METAP2MAPK1ALDH1A1HPGDHSD17B10
SCHEMBL7448786 0.79 CLK4 (0.35) ALDH1A1HPGDHSD17B10CYP3A4CYP2D6
SCHEMBL7107722 0.74 TUBB4A (0.36) ADRA1AADRA1BADRA1DTYK2PTGDR2
SCHEMBL7451102 0.74 ALDH1A1 (0.36) ADRA1AADRA1BMAPK1ALDH1A1HPGD
SCHEMBL7447660 0.74 ADRA1A (0.36) ADRA1AADRA1BMAPK1ALDH1A1HPGD
SCHEMBL7447711 0.72 ALDH1A1 (0.38) METAP2ADRA1AADRA1BMAPK1ALDH1A1
SCHEMBL24498473 0.69 TYK2 (0.41) METAP2ADRA1AADRA1BMAPK1ALDH1A1
SCHEMBL29739982 0.69 TYK2 (0.41) METAP2ADRA1AADRA1BMAPK1ALDH1A1
SCHEMBL4171658 0.69 GPR84 (0.37) MAPK1ALDH1A1KDM4EGAA
SCHEMBL6162726 0.69 ABCG2 (0.42) MAPK1ALDH1A1HPGDHSD17B10CYP3A4

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-1104403-A1 HYDROXY PIPECOLATE HYDROXAMIC ACID DERIVATIVES AS MMP INHIBITORS Pfizer Products Inc. (US) 2001-06-06 EP disclosed
WO-2000009485-A1 HYDROXY PIPECOLATE HYDROXAMIC ACID DERIVATIVES AS MMP INHIBITORS PFIZER PRODUCTS INC. (US) 2000-02-24 WO disclosed