SCHEMBL6380428

SCHEMBL6380428

Nc1cccc(Oc2cccc(C(=O)O)c2)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.73
MAOB P27338 1/20 0.63
KMO O15229 1/20 0.61
KDM4E B2RXH2 1/20 0.56
TNKS O95271 1/20 0.53
PARP15 Q460N3 1/20 0.53
PARP14 Q460N5 1/20 0.53
PARP10 Q53GL7 1/20 0.53
TNKS2 Q9H2K2 1/20 0.53
PARP2 Q9UGN5 1/20 0.53
MRGPRX4 Q96LA9 1/20 0.53
NPC1 O15118 1/20 0.52
POLB P06746 1/20 0.52
CYP2C9 P11712 1/20 0.52
RAB9A P51151 1/20 0.52
HDAC8 Q9BY41 1/20 0.51
F2 P00734 1/20 0.51
F10 P00742 1/20 0.51
PBRM1 Q86U86 1/20 0.50
LOXL2 Q9Y4K0 1/20 0.50

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
SCHEMBL23005775 0.91 MAOB (0.61) AKR1C3MAOBKMOKDM4ETNKS
SCHEMBL3943091 0.91 AKR1C3 (0.71) AKR1C3MAOBKMOKDM4ETNKS
SCHEMBL68858 0.89 AKR1C3 (0.92) AKR1C3KMOKDM4ETNKSPARP15
SCHEMBL30307454 0.89 AKR1C3 (0.92) AKR1C3KMOKDM4ETNKSPARP15
SCHEMBL30449599 0.89 AKR1C3 (0.92) AKR1C3KMOKDM4ETNKSPARP15
SCHEMBL3795929 0.88 MAOB (0.67) AKR1C3MAOBKMOKDM4ETNKS
SCHEMBL619686 0.88 AKR1C3 (0.77) AKR1C3MAOBKMOKDM4ETNKS
SCHEMBL31177925 0.88 MAOB (0.67) AKR1C3MAOBKMOKDM4ETNKS
SCHEMBL311673 0.87 PBRM1 (0.61) AKR1C3MAOBTNKSPARP15PARP14
SCHEMBL29436300 0.87 PBRM1 (0.61) AKR1C3MAOBTNKSPARP15PARP14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8575335-B2 Method of preparing nitrogen-doped graphene and nitrogen-doped graphene prepared thereby UNIST ACADEMY-INDUSTRY RESEARCH CORPORATION (KR) 2013-11-05 US claimed
US-20120149897-A1 METHOD OF PREPARING NITROGEN-DOPED GRAPHENE AND NITROGEN-DOPED GRAPHENE PREPARED THEREBY UNIST (ULSAN NATIONAL INSTITUTE OF SCIENCE AND TECHNOLOGY) (KR) 2012-06-14 US claimed
US-8575335-B2 Method of preparing nitrogen-doped graphene and nitrogen-doped graphene prepared thereby UNIST ACADEMY-INDUSTRY RESEARCH CORPORATION (KR) 2013-11-05 US disclosed
US-20120149897-A1 METHOD OF PREPARING NITROGEN-DOPED GRAPHENE AND NITROGEN-DOPED GRAPHENE PREPARED THEREBY UNIST (ULSAN NATIONAL INSTITUTE OF SCIENCE AND TECHNOLOGY) (KR) 2012-06-14 US disclosed
EP-1167422-B1 PROCESS OF PREPARING CONDENSED POLYMERS WITH POLYCARBOXYLIC ACIDS AND POLYAMINES JAPAN SCIENCE & TECH AGENCY (JP) 2005-06-01 EP disclosed
US-6586555-B1 To produce polyamides, polyimides, and/or polyamideimides JAPAN SCIENCE AND TECHNOLOGY CORPORATION (JP) 2003-07-01 US disclosed
EP-1167422-A1 PROCESS FOR PRODUCING POLYCONDENSATE FROM POLYCARBOXYLIC ACID AND POLYAMINE Japan Science and Technology Corporation (JP) 2002-01-02 EP disclosed