SCHEMBL6960411

SCHEMBL6960411

COC(=O)C(Br)Cc1cnc2cc(OCc3ccccc3C(F)(F)F)ccc2c1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOB P27338 11/20 0.45
MAOA P21397 1/20 0.45
ALOX5AP P20292 1/20 0.41
LNPEP Q9UIQ6 1/20 0.41
ADAMTS4 O75173 1/20 0.40
MMP13 P45452 1/20 0.40
PLK1 P53350 1/20 0.39
PTPN1 P18031 2/20 0.39
HPGDS O60760 1/20 0.38
SPHK2 Q9NRA0 1/20 0.38
SPHK1 Q9NYA1 1/20 0.38

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
SCHEMBL6954964 0.77 MAOB (0.48) MAOBHPGDS
SCHEMBL15446292 0.77 KDM4E (0.49)
SCHEMBL6965085 0.76 KDR (0.53)
SCHEMBL6964309 0.74 MAOB (0.51) MAOBMAOALNPEPPLK1SPHK2
SCHEMBL6960868 0.73 MAOB (0.52) MAOBPTPN1HPGDS
SCHEMBL8825070 0.72 MAOB (0.47) MAOBMAOAALOX5APLNPEPADAMTS4
SCHEMBL6955421 0.72 FFAR1 (0.47)
SCHEMBL6952896 0.72 ALDH1A1 (0.49) MAOBMAOALNPEP
SCHEMBL8824959 0.70 TDP1 (0.41) MAOBMAOAALOX5APPLK1
SCHEMBL6963053 0.69 MAOB (0.43) MAOBMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0787725-B1 QUINOLINE DERIVATIVE NIPPON CHEMIPHAR CO (JP) 2003-04-23 EP disclosed
CN-1071333-C Quinoline derivative NIPPON CHEMIPHAR CO (JP) 2001-09-19 CN disclosed
CN-1170411-A Quinoline derivative NIPPON CHEMIPHAR CO (JP) 1998-01-14 CN disclosed
EP-0787725-A1 QUINOLINE DERIVATIVE NIPPON CHEMIPHAR CO., LTD. (JP) 1997-08-06 EP disclosed