SCHEMBL4674249

SCHEMBL4674249

c1cncc(COc2ccc(N3CC[N]CC3)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.47
PRKDC P78527 2/20 0.46
CYP19A1 P11511 1/20 0.46
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 1/20 0.46
FGFR1 P11362 1/20 0.45
LTA4H P09960 1/20 0.44
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
MAPK14 Q16539 1/20 0.43
HTR6 P50406 1/20 0.43
HRH4 Q9H3N8 1/20 0.43
KDM4E B2RXH2 1/20 0.43
GFER P55789 1/20 0.43
KDM1A O60341 1/20 0.42
MAOA P21397 1/20 0.42
GPR132 Q9UNW8 1/20 0.41
IKBKB O14920 1/20 0.41
MEN1 O00255 1/20 0.41

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
SCHEMBL4674253 0.85 HTR6 (0.59) MAPK1PRKDCCYP19A1CYP11B1CYP11B2
SCHEMBL4673297 0.84 MAPT (0.50) LTA4HKDM4EMAOAMEN1KMT2A
SCHEMBL4676358 0.83 ITGB3 (0.43) PRKDCFGFR1LTA4HKDM4E
SCHEMBL28048524 0.81 MAPK1 (0.64) MAPK1CYP19A1CYP11B1CYP11B2CYP2D6
SCHEMBL4674738 0.75 CYP3A4 (0.56) PRKDCFGFR1CYP3A4CYP2D6CYP2C9
SCHEMBL7311175 0.74 MAPK1 (0.65) MAPK1GPR132IKBKBMEN1KMT2A
SCHEMBL10755327 0.74 ALOX5 (0.47) MAPK1PRKDCCYP19A1CYP11B1CYP11B2
SCHEMBL171895 0.73 MAPK1 (0.56) MAPK1CYP19A1CYP11B1CYP11B2CYP3A4
SCHEMBL8881389 0.73 HTT (0.62) MAPK1CYP19A1CYP11B1CYP11B2KDM4E
SCHEMBL8361615 0.73 MAPK1 (0.56) MAPK1CYP19A1CYP11B1CYP11B2MAOA

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-0958287-B2 SULFAMIDE-METALLOPROTEASE INHIBITORS HOFFMANN LA ROCHE (CH) 2008-04-09 EP disclosed
EP-0958287-B1 SULFAMIDE-METALLOPROTEASE INHIBITORS HOFFMANN LA ROCHE (CH) 2002-09-11 EP disclosed