SCHEMBL15435182

SCHEMBL15435182

Nc1cnc(NCCCc2ccccc2)nc1

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.70
HTR7 P34969 1/20 0.49
HDAC6 Q9UBN7 2/20 0.49
HDAC3 O15379 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC2 Q92769 1/20 0.49
SIGMAR1 Q99720 3/20 0.48
MAOB P27338 2/20 0.47
TMIGD3 P0DMS9 1/20 0.46
ADORA2A P29274 1/20 0.46
ADORA1 P30542 1/20 0.46
CTSC P53634 1/20 0.46
KDM4E B2RXH2 1/20 0.45
ASPH Q12797 1/20 0.45
RIOX2 Q8IUF8 1/20 0.45
KDM8 Q8N371 1/20 0.45

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
SCHEMBL22191322 0.85 HPGD (0.72) HPGDHDAC6HDAC3HDAC1HDAC2
SCHEMBL22202128 0.83 HPGD (0.70) HPGDHTR7HDAC6HDAC3HDAC1
SCHEMBL14869380 0.78 HTR7 (0.68) HPGDHTR7SIGMAR1TMIGD3ADORA2A
SCHEMBL15399488 0.77 HPGD (0.60) HPGDHDAC6HDAC3HDAC1HDAC2
SCHEMBL27873802 0.76 HPGD (0.59) HPGDSIGMAR1CTSC
SCHEMBL4377382 0.74 HTR7 (0.56) HPGDHTR7TMIGD3ADORA2AADORA1
SCHEMBL22191357 0.74 HDAC3 (0.60) HPGDHTR7HDAC6HDAC3HDAC1
SCHEMBL11793049 0.74 MAOB (0.62) HPGDHDAC6SIGMAR1MAOB
SCHEMBL10502959 0.73 HPGD (0.55) HPGDHTR7HDAC6HDAC3HDAC1
SCHEMBL20495335 0.72 HDAC3 (0.63) HPGDHDAC6HDAC3HDAC1HDAC2

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-2687507-B1 NITROGEN-CONTAINING CONDENSED HETEROCYCLIC COMPOUND TAISHO PHARMACEUTICAL CO LTD (JP) 2016-03-09 EP disclosed
US-9035059-B2 Nitrogen-containing condensed heterocyclic compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2015-05-19 US disclosed
EP-2687507-A1 NITROGEN-CONTAINING CONDENSED HETEROCYCLIC COMPOUND Taisho Pharmaceutical Co., Ltd. (JP) 2014-01-22 EP disclosed