SCHEMBL7558227

SCHEMBL7558227

NC(=O)C=Cc1ccc(N)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1B1 Q16678 1/20 0.53
APP P05067 2/20 0.52
MEN1 O00255 3/20 0.51
MAPT P10636 3/20 0.51
RAB9A P51151 3/20 0.51
KMT2A Q03164 3/20 0.51
NPC1 O15118 2/20 0.51
NFKB1 P19838 2/20 0.51
NFKB2 Q00653 2/20 0.51
RELA Q04206 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
PSMD14 O00487 1/20 0.51
CRHBP P24387 1/20 0.51
CRHR2 Q13324 1/20 0.51
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CYP19A1 P11511 4/20 0.48
MAOA P21397 1/20 0.48

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
SCHEMBL7558225 1.00 CYP1B1 (0.53) CYP1B1APPMEN1MAPTRAB9A
SCHEMBL1450230 0.91 F3 (0.52) MAPTALDH1A1LMNASMN1; SMN2MAOB
SCHEMBL31574371 0.84 CYP1B1 (0.55) CYP1B1APPMEN1MAPTRAB9A
SCHEMBL2358165 0.84 F3 (0.64) CYP1B1APPMEN1MAPTRAB9A
SCHEMBL2358166 0.84 F3 (0.64) CYP1B1APPMEN1MAPTRAB9A
SCHEMBL143559 0.82 CA12 (0.65) CYP1B1APPMEN1MAPTRAB9A
SCHEMBL1001682 0.82 CA12 (0.65) CYP1B1APPMEN1MAPTRAB9A
SCHEMBL143558 0.82 CA12 (0.65) CYP1B1APPMEN1MAPTRAB9A
SCHEMBL214614 0.82 TYR (0.68) APPMEN1MAPTRAB9AKMT2A
SCHEMBL214615 0.82 TYR (0.68) APPMEN1MAPTRAB9AKMT2A

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
CN-113462278-B Varnish composition, method for producing polyimide resin, and additive 东京应化工业株式会社 2024-06-07 CN disclosed
US-6479488-B1 GOOD IN VITRO AFFINITY FOR THE STRYCHNINE INSENSITIVE GLYCINE BINDING SITE ASSOCIATED WITH THE NMDA RECEPTOR COMPLEX BUT ALSO GOOD IN VIVO ACTIVITY WHEN ADMINISTERED SYSTEMICALLY GLAXO WELLCOME SPA (IT) 2002-11-12 US disclosed
EP-0922034-B1 TETRAHYDROQUINOLINE DERIVATIVES AS EAA ANTAGONISTS GLAXO WELLCOME SPA (IT) 2002-07-24 EP disclosed
EP-0922034-A1 TETRAHYDROQUINOLINE DERIVATIVES AS EAA ANTAGONISTS GLAXO WELLCOME S.p.A. (IT) 1999-06-16 EP disclosed
WO-1998007704-A1 TETRAHYDROQUINOLINE DERIVATIVES AS EAA ANTAGONISTS GLAXO WELLCOME S.P.A. (IT) 1998-02-26 WO disclosed
US-4101543-A DYES FOR CELLULOSE ACETATES, AROMATIC POLYESTERS OR POLYAMIDES PRODUITS CHIMIQUES UGINE KUHLMANN (FR) 1978-07-18 US disclosed
US-4094636-A DIAZOTIZATION HOECHST AKTIENGESELLSCHAFT (DT) 1978-06-13 US disclosed