SCHEMBL7447364

SCHEMBL7447364

COc1[c]occ1-c1cnccn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 2/20 0.38
HTT P42858 1/20 0.38
MAPK1 P28482 1/20 0.35
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
HPGD P15428 1/20 0.33
NR4A1 P22736 1/20 0.33
ESR2 Q92731 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
CHEK1 O14757 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP19A1 P11511 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
CYP3A4 P08684 1/20 0.32
GAA P10253 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
SCHEMBL7446349 0.79 KDM4E (0.42) HTTMAPK1KDM4EALDH1A1POLB
SCHEMBL7447711 0.73 ALDH1A1 (0.38) RECQLHTTMAPK1KDM4EALDH1A1
SCHEMBL7447660 0.73 ADRA1A (0.36) RECQLHTTMAPK1KDM4EALDH1A1
SCHEMBL30636365 0.68 HSD17B10 (0.55) KDM4EALDH1A1POLBHPGDNR4A1
SCHEMBL17591534 0.68 HSD17B10 (0.55) KDM4EALDH1A1POLBHPGDNR4A1
SCHEMBL7106715 0.68 SMPD3 (0.40) ADRA1AADRA1BCYP1A2
SCHEMBL7451102 0.67 ALDH1A1 (0.36) RECQLHTTMAPK1KDM4EALDH1A1
SCHEMBL7455246 0.67 METAP2 (0.36) RECQLHTTMAPK1KDM4EALDH1A1
SCHEMBL7454492 0.67 ADRA1A (0.36) RECQLHTTMAPK1KDM4EALDH1A1
SCHEMBL23732242 0.66 RECQL (0.45) RECQLHTTMAPK1KDM4EALDH1A1

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