SCHEMBL694241

SCHEMBL694241

[c]1ccc2[nH]c(-c3ccccn3)cc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.49
KDM4E B2RXH2 6/20 0.49
SMN1; SMN2 Q16637 5/20 0.49
NPC1 O15118 4/20 0.49
RAB9A P51151 4/20 0.49
HPGD P15428 3/20 0.49
ALDH1A1 P00352 1/20 0.49
GSK3B P49841 2/20 0.46
CCNB2 O95067 1/20 0.46
CDK1 P06493 1/20 0.46
CCNB1 P14635 1/20 0.46
CDK5 Q00535 1/20 0.46
CDK5R1 Q15078 1/20 0.46
CCNB3 Q8WWL7 1/20 0.46
PKM P14618 3/20 0.41
MAPT P10636 2/20 0.41
KMT2A Q03164 1/20 0.41
METAP1 P53582 8/20 0.41
METAP2 P50579 8/20 0.41
MTOR P42345 1/20 0.41

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
SCHEMBL694760 0.82 ITK (0.38) NPC1RAB9AGSK3BITKAURKA
SCHEMBL29470995 0.82 GSK3B (0.61) LMNAKDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL308319 0.82 GSK3B (0.61) LMNAKDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL4278217 0.80 METAP2 (0.40) GSK3BCCNB2CDK1CCNB1CDK5
SCHEMBL695324 0.79 CCR1 (0.46) LMNAKDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL695383 0.77 CCR1 (0.44) KDM4ESMN1; SMN2NPC1RAB9AHPGD
SCHEMBL694773 0.76 KDM4E (0.36) LMNAKDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL694875 0.76 CCR1 (0.43) LMNAKDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL694442 0.76 MAPT (0.37) GSK3BCDK5CDK5R1MAPTCYP1A2
SCHEMBL695289 0.76 GSK3B (0.44) LMNAKDM4ENPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2421825-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica N.V. (BE) 2012-02-29 EP claimed
WO-2010124108-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO claimed
EP-3197450-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF FIBROSIS INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2017-08-02 EP disclosed
WO-2016046130-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF FIBROSIS INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2016-03-31 WO disclosed
EP-2421825-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica N.V. (BE) 2012-02-29 EP disclosed
WO-2010124108-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO disclosed
EP-2120569-A2 SPIROCHROMANON DERIVATIVES Merck & Co., Inc. (US) 2009-11-25 EP disclosed
WO-2008088692-A2 SPIROCHROMANON DERIVATIVES MERCK & CO., INC. (US) 2008-07-24 WO disclosed