SCHEMBL8307110

SCHEMBL8307110

CSc1c(Br)ccc2c1C(=O)CCO2

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.34
MAOA P21397 1/20 0.34
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HTR1A P08908 1/20 0.31
CYP2D6 P10635 1/20 0.31
SLC6A4 P31645 1/20 0.31
DYRK1A Q13627 1/20 0.31
DYRK2 Q92630 1/20 0.31
DYRK1B Q9Y463 1/20 0.31
GRM5 P41594 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC7 Q8WUI4 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC10 Q969S8 1/20 0.30
HDAC11 Q96DB2 1/20 0.30
HDAC8 Q9BY41 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
SCHEMBL6725382 0.73 LMNA (0.35) LMNAMAPT
SCHEMBL8308065 0.72 LMNA (0.34) LMNAMAPT
SCHEMBL13506273 0.71 MAOB (0.39) MAOBMAOALMNAMAPTDYRK1A
SCHEMBL2156974 0.71 ALDH1A1 (0.36) MAOBMAOALMNAMAPTDYRK1A
SCHEMBL8615385 0.69 MAOB (0.34) MAOBMAOALMNAMAPTGRM5
SCHEMBL769591 0.65 MAP3K14 (0.42) MAOBMAOALMNAMAPTKDM4E
SCHEMBL27203819 0.65 PTGS2 (0.39) MAOBMAOALMNAMAPTDYRK1A
SCHEMBL56658 0.65 MAOB (0.46) MAOBMAOALMNAMAPTDYRK1A
SCHEMBL20480683 0.64 MAPT (0.61) LMNAMAPTKDM4E
SCHEMBL8219507 0.64 MAOA (0.35) MAOBMAOALMNAMAPTGRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0629623-B1 PYRAZOLE DERIVATIVE IDEMITSU KOSAN CO (JP) 1999-05-19 EP disclosed
US-5587484-A HALOGENATION; OXIDATION; SULFONATION; HERBICIDES IDEMITSU KOSAN CO., LTD. (JP) 1996-12-24 US disclosed
US-5480858-A HERBICIDES; LOW DOSAGE; CORN, BARLEY, WHEAT IDEMITSU KOSAN CO., LTD. (JP) 1996-01-02 US disclosed
US-5468722-A Herbicides for corn, wheat, barley IDEMITSU KOSAN CO., LTD. (JP) 1995-11-21 US disclosed
EP-0629623-A1 PYRAZOLE DERIVATIVE IDEMITSU KOSAN COMPANY LIMITED (JP) 1994-12-21 EP disclosed