SCHEMBL9507588

SCHEMBL9507588

COc1ccc(CSc2cccc(Cl)c2CCl)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.45
APP P05067 1/20 0.43
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAOA P21397 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ABL1 P00519 1/20 0.40
SRC P12931 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
IDO1 P14902 2/20 0.39
CHRM5 P08912 1/20 0.39
TSHR P16473 1/20 0.38
LMNA P02545 2/20 0.38
TP53 P04637 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
SCHEMBL9507325 0.85 MAOB (0.42) MAOBAPPALDH1A1MEN1KMT2A
SCHEMBL31152928 0.77 APP (0.45) MAOBAPPALDH1A1MEN1KMT2A
SCHEMBL9510871 0.75 ALDH1A1 (0.40) MAOBALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL5970893 0.73 APP (0.47) MAOBAPPALDH1A1MEN1KMT2A
SCHEMBL10687383 0.72 APP (0.58) MAOBAPPALDH1A1MEN1KMT2A
SCHEMBL7298052 0.72 POLB (0.65) MAOBAPPALDH1A1MEN1KMT2A
SCHEMBL12603762 0.72 RAB9A (0.51) MAOBAPPALDH1A1MEN1KMT2A
SCHEMBL9507201 0.72 APP (0.46) MAOBAPPALDH1A1MEN1KMT2A
SCHEMBL9507453 0.71 IDO1 (0.45) MAOBAPPALDH1A1MEN1KMT2A
SCHEMBL31011604 0.71 APP (0.49) 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