SCHEMBL15054859

SCHEMBL15054859

C=Cc1ncccn1.C=Cc1ncccn1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.35
HSP90AA1 P07900 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
POLB P06746 1/20 0.32
CCR1 P32246 1/20 0.32
CCR5 P51681 1/20 0.32
CCR8 P51685 1/20 0.32
METAP1 P53582 1/20 0.32
BLM P54132 1/20 0.32
HIF1A Q16665 1/20 0.32
DOHH Q9BU89 1/20 0.32
P4HTM Q9NXG6 1/20 0.32

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
SCHEMBL36385 1.00
SCHEMBL31107108 0.97
Pyrrole SCHEMBL29071325 0.84
SCHEMBL28547673 0.81 MEN1 (0.56) MEN1NPC1RAB9AKMT2AATM
Styrene SCHEMBL27752825 0.79 ALDH1A1 (0.58) HDAC8MEN1NPC1RAB9AKMT2A
Oxazole SCHEMBL29241750 0.78
SCHEMBL6158976 0.77 KDM4E (0.31) ALDH1A1KDM4E
SCHEMBL854356 0.75
SCHEMBL5011600 0.74 MEN1 (0.30) MEN1NPC1RAB9AKMT2AATM
SCHEMBL15870907 0.72 MEN1 (0.45) HDAC8HSP90AA1MEN1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2609913-A1 Patch preparation Nitto Denko Corporation (JP) 2013-07-03 EP disclosed
US-20130165876-A1 PATCH PREPARATION NITTO DENKO CORPORATION (JP) 2013-06-27 US disclosed