SCHEMBL6206085

SCHEMBL6206085

O=C1c2ccc(-c3ccccc3)cc2CC1Br

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 5/20 0.47
PARP10 Q53GL7 1/20 0.46
PARP11 Q9NR21 1/20 0.46
MEN1 O00255 2/20 0.43
NPC1 O15118 2/20 0.43
MAPT P10636 2/20 0.43
KMT2A Q03164 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
APAF1 O14727 1/20 0.43
LMNA P02545 1/20 0.43
THRB P10828 1/20 0.43
XBP1 P17861 1/20 0.43
PTBP1 P26599 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
GALK1 P51570 1/20 0.43
BLM P54132 1/20 0.43
SMAD3 P84022 1/20 0.43
ATM Q13315 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL7178718 0.87 TYRO3 (0.49) TDP2PARP10PARP11MEN1NPC1
SCHEMBL6190707 0.84 TDP2 (0.51) TDP2PARP10PARP11NOTUM
SCHEMBL6977859 0.81 PARP10 (0.54) TDP2PARP10PARP11MAOBKDM1A
SCHEMBL8990237 0.80 ACHE (0.61) TDP2PARP10PARP11MEN1NPC1
SCHEMBL6980637 0.77 TDP2 (0.42) TDP2PARP10PARP11HRH3
SCHEMBL6977763 0.77 SLC6A11 (0.46)
SCHEMBL19100613 0.77 CA1 (0.40) MAOAMAOBCLK4HPGD
SCHEMBL29752636 0.76 ACHE (0.59) MEN1MAPTKMT2ASMN1; SMN2L3MBTL1
SCHEMBL296403 0.76 ACHE (0.59) MEN1MAPTKMT2ASMN1; SMN2L3MBTL1
SCHEMBL8555030 0.75 METAP1 (0.54) TDP2PARP10PARP11L3MBTL1KDM1A

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-1098891-B1 POLYCYCLIC THIAZOLIDIN-2-YLIDENE AMINES, METHOD FOR THE PRODUCTION AND USE THEREOF AS MEDICAMENTS AVENTIS PHARMA GMBH (DE) 2005-08-10 EP disclosed
EP-1098891-A1 POLYCYCLIC THIAZOLIDIN-2-YLIDENE AMINES, METHOD FOR THE PRODUCTION AND USE THEREOF AS MEDICAMENTS Aventis Pharma Deutschland GmbH (DE) 2001-05-16 EP disclosed
US-6159996-A Polycyclic thiazolidin-2-ylidene amines, process for their preparation, and their use as pharmaceuticals AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-12-12 US disclosed
WO-2000004006-A1 POLYCYCLIC THIAZOLIDIN-2-YLIDENE AMINES, METHOD FOR THE PRODUCTION AND USE THEREOF AS MEDICAMENTS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-01-27 WO disclosed