SCHEMBL61808

SCHEMBL61808

O=C1[N]Cc2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.44
CES1 P23141 3/20 0.44
TSHR P16473 2/20 0.43
MAOB P27338 2/20 0.41
BCHE P06276 2/20 0.41
KMT2A Q03164 3/20 0.40
ACHE P22303 2/20 0.40
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40
CYP2A6 P11509 1/20 0.40
CYP1A2 P05177 2/20 0.39
TDP2 O95551 2/20 0.38
MEN1 O00255 2/20 0.38
PDPK1 O15530 1/20 0.38
PARP1 P09874 1/20 0.38
PARP10 Q53GL7 1/20 0.38
PARP11 Q9NR21 1/20 0.38
CASP3 P42574 1/20 0.38
CASP7 P55210 1/20 0.38
CASP9 P55211 1/20 0.38

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
SCHEMBL3934676 0.83 MAOA (0.39) MAOACES1TSHRMAOBBCHE
SCHEMBL73596 0.77 CES1 (0.52) MAOACES1TSHRMAOBBCHE
SCHEMBL51552 0.77 MAOA (0.41) MAOACES1TSHRMAOBBCHE
SCHEMBL6787608 0.77 ALDH1A1 (0.53) MAOACES1TSHRBCHEKMT2A
SCHEMBL11519242 0.76 MAOA (0.40) MAOACES1TSHRMAOBBCHE
Water SCHEMBL3663798 0.76 MAOA (0.40) MAOACES1TSHRMAOBBCHE
SCHEMBL11516879 0.76 MAOA (0.40) MAOACES1TSHRMAOBBCHE
SCHEMBL4386410 0.76 MAOA (0.40) MAOACES1TSHRMAOBBCHE
Hydrochloric Acid SCHEMBL8208617 0.76 TSHR (0.44) MAOACES1TSHRMAOBBCHE
SCHEMBL11690364 0.76 MAOA (0.40) MAOACES1TSHRMAOBBCHE

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

Appears in 3357 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240238425-A1 HSD17B13 Inhibitors and/or Degraders PFIZER INC. (US) 2024-07-18 US claimed
WO-2024127297-A1 3-FLUORO-4-HYDROXYBENZMIDE-CONTAINING INHIBITORS AND/OR DEGRADERS AND USES THEREOF PFIZER INC. (US) 2024-06-20 WO claimed
EP-4385979-A1 MULTICYCLIC INHIBITORS OF NAV1.8 Grünenthal GmbH (DE) 2024-06-19 EP claimed
EP-4385980-A1 INDAZOLES AS INHIBITORS OF NAV1.8 Grünenthal GmbH (DE) 2024-06-19 EP claimed
US-12012409-B2 Bicyclic heterocycles as FGFR inhibitors INCYTE CORPORATION (US) 2024-06-18 US claimed
WO-2024118966-A1 GLUTARIMIDE-CONTAINING PAN-KRAS-MUTANT DEGRADER COMPOUNDS AND USES THEREOF TIGER BIOTHERAPEUTICS INC. (US) 2024-06-06 WO claimed
WO-2024118960-A1 GLUTARIMIDE-CONTAINING KRAS-MUTANT DEGRADER COMPOUNDS AND USES THEREOF TIGER BIOTHERAPEUTICS INC. (US) 2024-06-06 WO claimed
US-11999699-B2 Substituted pyrazole amides Grünenthal GmbH (DE) 2024-06-04 US claimed
US-11980633-B2 Method for treating cancer using a combination of DNA-damaging agents and DNA-PK inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2024-05-14 US claimed
US-20240150334-A1 HSD17B13 INHIBITORS AND/OR DEGRADERS PFIZER INC. (US) 2024-05-09 US claimed
EP-0489300-A2 Tetralones with pharmacological activity J. URIACH & CIA. S.A. (ES) 1992-06-10 EP claimed
WO-1992007850-A1 NOVEL COMPOUNDS BEECHAM GROUP PLC (GB) 1992-05-14 WO claimed
CN-1036759-A Triazole derivative, its preparation method and its purposes as mycocide SANKYO CO (JP) 1989-11-01 CN claimed
EP-0332387-A1 Triazole derivatives, their preparation and their use as fungicides Sankyo Company Limited (JP) 1989-09-13 EP claimed
US-4863948-A Isoindolinone sulfonamide anti-arrhythmic agents PFIZER, INC. (US) 1989-09-05 US claimed
EP-0091726-B1 5-SUBSTITUTED 1,2,4-OXADIAZOLE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1988-11-23 EP claimed
US-4560447-A Electrolytic process for preparation of α-alkylated acetic acid derivatives OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1985-12-24 US claimed
US-4530843-A Containing a heterocyclic ring SYNTHELABO (FR) 1985-07-23 US claimed
US-4455298-A MOLLUSC EXTRACT MCFARLANE STUART J (NZ) 1984-06-19 US claimed
US-4367176-A Esters of arylpropionic acids endowed with an anti-inflammatory activity and related pharmaceutical compositions AUSONIA FARMACEUTICI S.R.L. (IT) 1983-01-04 US claimed