SCHEMBL1097355

SCHEMBL1097355

CC1(CNC(=O)c2ccc(Cl)s2)CC(c2ccc(C(N3CCC3)=[N+]3CCC3)cc2)=NO1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.35
ALDH1A1 P00352 1/20 0.35
KDM4E B2RXH2 2/20 0.34
F10 P00742 9/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.32
HTR1A P08908 1/20 0.32
POLB P06746 1/20 0.32
HTT P42858 1/20 0.32
RECQL P46063 1/20 0.32
ATM Q13315 1/20 0.32
F2 P00734 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
SCHEMBL1106542 0.88 HPGD (0.38) HPGDALDH1A1KDM4EF10MAPT
SCHEMBL1096434 0.86 HPGD (0.40) HPGDALDH1A1KDM4EF10MAPT
SCHEMBL1096102 0.85 HPGD (0.39) HPGDALDH1A1KDM4EF10MAPT
SCHEMBL1096402 0.81 KDM4E (0.43) HPGDKDM4EF10MAPTMAPK1
SCHEMBL1100907 0.81 ITGB1 (0.41) HPGDALDH1A1KDM4EF10MAPT
SCHEMBL1095197 0.81 KDM4E (0.46) HPGDKDM4EF10MAPTMAPK1
SCHEMBL1097081 0.80 KDM4E (0.40) HPGDKDM4EF10MAPK1POLB
SCHEMBL1095731 0.80 MAPK1 (0.41) HPGDKDM4EF10MAPK1POLB
SCHEMBL1097154 0.79 F10 (0.37) HPGDF10MAPTMAPK1
SCHEMBL1097454 0.79 RAB9A (0.34) HPGDALDH1A1KDM4EF10MAPT

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
US-8153670-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-04-10 US claimed
US-8153670-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-04-10 US disclosed