SCHEMBL1732837

SCHEMBL1732837

CCOc1[c]c(C(C)(C)C)cc(C(=O)CN2Cc3cc(OC)c(OC)c(F)c3C2=N)c1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F2R P25116 11/20 0.58
ALDH1A1 P00352 2/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 3/20 0.34
KDM4E B2RXH2 3/20 0.34
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
LMNA P02545 3/20 0.31
NPSR1 Q6W5P4 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
GLA P06280 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL1732640 0.91 F2R (0.62) F2RALDH1A1GAAMAPTKDM4E
SCHEMBL14449141 0.85 F2R (0.72) F2RALDH1A1GAAMAPTLMNA
SCHEMBL1730562 0.85 F2R (0.57) F2R
Bromide SCHEMBL1729239 0.84 F2R (0.73) F2RALDH1A1GAAMAPTKDM4E
SCHEMBL6544923 0.84 F2R (0.51) F2RALDH1A1GAAMAPTKDM4E
SCHEMBL14449044 0.82 F2R (0.71) F2R
Bromide SCHEMBL5484851 0.82 F2R (0.76) F2RALDH1A1GAAMAPTKDM4E
SCHEMBL1730455 0.82 F2R (0.61) F2RALDH1A1GAAMAPTKDM4E
Bromide SCHEMBL1730903 0.82 F2R (0.69) F2RALDH1A1GAAMAPTKDM4E
Bromide SCHEMBL1730448 0.82 F2R (0.71) F2RMAPTKDM4ERAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1852433-B1 CARBAZOLE DERIVATIVE, SOLVATE THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ZERIA PHARM CO LTD (JP) 2011-11-23 EP claimed
EP-1852433-B1 CARBAZOLE DERIVATIVE, SOLVATE THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ZERIA PHARM CO LTD (JP) 2011-11-23 EP disclosed
EP-1391451-B1 2-IMINOPYRROLIDINE DERIVATES EISAI R&D MAN CO LTD (JP) 2011-11-23 EP disclosed