SCHEMBL7742609

SCHEMBL7742609

C=CC(=O)N(C[C]=O)c1ncccc1NC(=O)Nc1ccco1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.33
MAPT P10636 5/20 0.33
MEN1 O00255 4/20 0.33
RECQL P46063 4/20 0.33
KMT2A Q03164 4/20 0.33
NPC1 O15118 3/20 0.33
ALDH1A1 P00352 5/20 0.32
KDM4E B2RXH2 4/20 0.32
HTT P42858 4/20 0.32
TDP1 Q9NUW8 3/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
POLB P06746 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
THRB P10828 1/20 0.32
MMP2 P08253 1/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
BLM P54132 1/20 0.30
MCL1 Q07820 1/20 0.30
CTDSP1 Q9GZU7 1/20 0.30

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
SCHEMBL7749587 0.85 MAPK1 (0.44) RAB9AMAPTMEN1KMT2ANPC1
SCHEMBL7749931 0.82 PTPN1 (0.40) RAB9ARECQLNPC1KDM4E
SCHEMBL7742440 0.81 MEN1 (0.41) MEN1KMT2AALDH1A1HTTTDP1
SCHEMBL7748118 0.79 BRD4 (0.37) RAB9AMAPTNPC1ALDH1A1KDM4E
SCHEMBL7748511 0.78 GSTO1 (0.32) KDM4ETDP1POLB
SCHEMBL7747491 0.78 NPC1 (0.45) RAB9AMAPTNPC1SMN1; SMN2L3MBTL1
SCHEMBL7749704 0.77 KDM4E (0.36) RAB9AMAPTMEN1RECQLKMT2A
SCHEMBL7981573 0.76 BRD4 (0.37) RAB9AMAPTMEN1RECQLKMT2A
SCHEMBL7742663 0.76 TSHR (0.41) MAPTRECQLKMT2AALDH1A1KDM4E
SCHEMBL7747197 0.76 ATM (0.37) MEN1KMT2AALDH1A1KDM4EHTT

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-0622361-B1 Heterocyclic compounds as bradykinin antagonists FUJISAWA PHARMACEUTICAL CO (JP) 2001-10-04 EP disclosed
US-6169095-B1 FOR PREVENTION AND/OR TREATMENT OF BRADYKININ OR ITS ANALOGUES MEDIATED DISEASES IN THE EYE, SUCH AS ALLERGY, INFLAMMATION AND PAIN OF THE EYE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-01-02 US disclosed
US-5922711-A ANTIALLERGENS, ANTIINFLAMMATORY AGENTS, AUTOIMMUNE DISEASES, SHOCK OR ANALGESICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-07-13 US disclosed
US-5750699-A HALOGENATING OF CORRESPONDING COMPOUND FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-05-12 US disclosed
US-5708173-A PREPARATION OF SUBSTITUTED QUINOLINE COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-01-13 US disclosed
US-5574042-A ANTAGONIST FOR BRADYKININS AS ANTIALLERGENS, AUTOIMMUNE DISEASES, ANTIINFLAMMATORY AGENTS, SHOCK OR PAIN FUJISAWA PHARMACEUTICAL CO., LTD (JP) 1996-11-12 US disclosed
US-5563162-A CAN BE ADMINISTERD FOR THE TREATMENT OF ALLERGY, INFLAMMATION, AUTOIMMUNE DISEASES, SHOCK OR PAIN IN ANIMALS AND HUMANS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-10-08 US disclosed
EP-0622361-A1 Heterocyclic compounds as bradykinin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-11-02 EP disclosed