SCHEMBL12468940

SCHEMBL12468940

CC(=O)N1CCOC(c2ccc(Br)cc2)C1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.44
KDM1A O60341 1/20 0.44
MAOA P21397 1/20 0.44
USP30 Q70CQ3 2/20 0.41
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
AKR1C3 P42330 1/20 0.39
PHGDH O43175 1/20 0.38
QDPR P09417 1/20 0.38
DRD3 P35462 2/20 0.38
DRD2 P14416 1/20 0.38
MGLL Q99685 1/20 0.37
KRAS P01116 1/20 0.36

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
SCHEMBL3372111 0.87 USP30 (0.44) USP30ALDH1A1MEN1KMT2AAKR1C3
SCHEMBL3374956 0.87 USP30 (0.44) USP30ALDH1A1MEN1KMT2AAKR1C3
SCHEMBL502854 0.87 USP30 (0.44) USP30ALDH1A1MEN1KMT2AAKR1C3
SCHEMBL17095010 0.85 CASP6 (0.45) USP30QDPRDRD3
SCHEMBL19049375 0.85 MEN1 (0.46) USP30MEN1KMT2A
SCHEMBL15864467 0.85 USP30 (0.41) USP30AKR1C3PHGDHQDPRDRD3
SCHEMBL25453440 0.85 USP30 (0.54) USP30MEN1KMT2ADRD3
SCHEMBL19049384 0.85 USP30 (0.54) USP30MEN1KMT2ADRD3
SCHEMBL2294982 0.85 USP30 (0.41) MAOBKDM1AMAOAUSP30ALDH1A1
SCHEMBL2299421 0.85 USP30 (0.41) MAOBKDM1AMAOAUSP30ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2925750-A1 SUBSTITUTED 2,3-DIHYDROBENZOFURANYL COMPOUNDS AND USES THEREOF Karyopharm Therapeutics, Inc. (US) 2015-10-07 EP disclosed
EP-2838534-A2 SUBSTITUTED BENZAMIDES AND THEIR USES The Board of Trustees of The Leland Stanford Junior University (US) 2015-02-25 EP disclosed
WO-2014085607-A1 SUBSTITUTED 2,3-DIHYDROBENZOFURANYL COMPOUNDS AND USES THEREOF Karyopharm Therapeutics Inc. (US) 2014-06-05 WO disclosed
WO-2013155338-A2 SUBSTITUTED BENZAMIDES AND THEIR USES THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2013-10-17 WO disclosed
EP-2627324-A2 SUBSTITUTED BENZAMIDES AND THEIR USES The Board of Trustees of The Leland Stanford Junior University (US) 2013-08-21 EP disclosed
WO-2012051117-A2 SUBSTITUTED BENZAMIDES AND THEIR USES THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2012-04-19 WO disclosed