SCHEMBL2773405

SCHEMBL2773405

O=[N+]([O-])C1CCCc2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
KDM4E B2RXH2 2/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
IDO1 P14902 2/20 0.47
BLM P54132 1/20 0.44
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.43
EPHX1 P07099 1/20 0.41
POLB P06746 1/20 0.40

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
SCHEMBL2115194 0.89 IDO1 (0.44) ALDH1A1KDM4EMEN1KMT2AIDO1
SCHEMBL30150914 0.89 IDO1 (0.44) ALDH1A1KDM4EMEN1KMT2AIDO1
SCHEMBL17495044 0.77 CYP2A6 (0.42) ALDH1A1KDM4EMEN1KMT2A
SCHEMBL11079650 0.75 ALDH1A1 (0.34) ALDH1A1KDM4EMEN1KMT2AIDO1
SCHEMBL3114732 0.75 HTR2A (0.42) ALDH1A1KDM4EIDO1
SCHEMBL6112757 0.74 KDM4E (0.40) ALDH1A1KDM4EMEN1KMT2AIDO1
SCHEMBL10643837 0.74 ALDH1A1 (0.43) ALDH1A1KDM4EMEN1KMT2AIDO1
SCHEMBL11742887 0.73 TSHR (0.41) ALDH1A1KDM4EMEN1KMT2AIDO1
SCHEMBL29024729 0.73 RAB9A (0.46) ALDH1A1KDM4EMEN1KMT2AIDO1
SCHEMBL10647055 0.73 HTT (0.44) ALDH1A1KDM4EMEN1KMT2AIDO1

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-1568681-B1 PROCESS FOR PRODUCING 1,5-DIAMINONAPHTHALENE MITSUI CHEMICALS INC (JP) 2010-04-28 EP disclosed
EP-1568681-A1 PROCESS FOR PRODUCING 1,5-DIAMINONAPHTHALENE Mitsui Chemicals, Inc. (JP) 2005-08-31 EP disclosed
US-6828461-B2 Process for producing 1,5-diaminonaphthalene MITSUI CHEMICALS, INC. (JP) 2004-12-07 US disclosed
US-20040143137-A1 Process for producing 1,5-diaminonaphthalene MITSUI CHEMICALS, INC. (JP) 2004-07-22 US disclosed
EP-0657427-B1 Tricyclic indole-2-carboxylic acid derivatives being selective antagonists of the NMDA receptor SUMITOMO PHARMA (JP) 2002-06-19 EP disclosed
CN-1061034-C Tricyclic indole-2-carboxylic acid derivatives SUMITOMO PHARMA (JP) 2001-01-24 CN disclosed
US-5496843-A Tricyclic indole-2-carboxylic acid derivatives SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1996-03-05 US disclosed
EP-0657427-A1 Tricyclic indole-2-carboxylic acid derivatives being selective antagonists of the NMDA receptor SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1995-06-14 EP disclosed