SCHEMBL9507325

SCHEMBL9507325

COc1ccc(CSc2cccc(Cl)c2CN(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.42
APP P05067 1/20 0.40
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HSP90AA1 P07900 1/20 0.40
SLC6A2 P23975 3/20 0.40
SLC6A4 P31645 3/20 0.40
SLC6A3 Q01959 3/20 0.40
HPGD P15428 1/20 0.39
ABL1 P00519 1/20 0.38
SRC P12931 1/20 0.38
MAOA P21397 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
PYCR1 P32322 1/20 0.38
NPC1 O15118 1/20 0.37
NFKB1 P19838 1/20 0.37
RAB9A P51151 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37

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
SCHEMBL9507588 0.85 MAOB (0.45) MAOBAPPALDH1A1MEN1KMT2A
SCHEMBL9509583 0.74 SLC6A4 (0.44) MEN1KMT2ASLC6A2SLC6A4SLC6A3
SCHEMBL31152928 0.73 APP (0.45) MAOBAPPALDH1A1MEN1KMT2A
SCHEMBL9508531 0.72 SLC6A4 (0.51) MAOBAPPALDH1A1SLC6A2SLC6A4
SCHEMBL9510871 0.72 ALDH1A1 (0.40) MAOBALDH1A1MEN1KMT2AABL1
SCHEMBL10687383 0.69 APP (0.58) MAOBAPPALDH1A1MEN1KMT2A
SCHEMBL12603762 0.69 RAB9A (0.51) MAOBAPPALDH1A1MEN1KMT2A
SCHEMBL7298052 0.69 POLB (0.65) MAOBAPPALDH1A1MEN1KMT2A
SCHEMBL22048288 0.69 SLC6A2 (0.46) ALDH1A1SLC6A2SLC6A4SLC6A3HPGD
SCHEMBL9507220 0.68 GAA (0.44) MAOBAPPALDH1A1MEN1KMT2A

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-0358305-B1 MERCAPTO-PHENYLALCANOYLAMINO ACID AMIDES, THEIR PREPARATION AND THEIR USE AS COLLAGENASE INHIBITORS BEECHAM GROUP PLC (GB) 1993-08-25 EP disclosed
US-5124322-A Antiarthritic agents BEECHAM GROUP P.L.C. (GB) 1992-06-23 US disclosed
EP-0358305-A1 Mercapto-phenylalcanoylamino acid amides, their preparation and their use as collagenase inhibitors BEECHAM GROUP PLC (GB) 1990-03-14 EP disclosed