SCHEMBL7872708

SCHEMBL7872708

COc1ccc(Sc2ccc(C=O)o2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.51
MAPT P10636 5/20 0.51
POLB P06746 4/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
HPGD P15428 3/20 0.51
ALOX12 P18054 1/20 0.51
HTT P42858 1/20 0.51
RECQL P46063 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
CYP2A6 P11509 1/20 0.43
GFER P55789 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PTGIR P43119 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
KDM4E B2RXH2 3/20 0.38
CYP1A2 P05177 3/20 0.38
CYP1A1 P04798 1/20 0.38
CYP1B1 Q16678 1/20 0.38
PKM P14618 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
SCHEMBL28940131 0.82 PTPN11 (0.47) ALDH1A1MAPTPOLBMEN1KMT2A
SCHEMBL28939848 0.81 MAPT (0.57) ALDH1A1MAPTPOLBMEN1KMT2A
SCHEMBL28939840 0.78 MAPK1 (0.45) ALDH1A1MAPTPOLBMEN1KMT2A
SCHEMBL8422973 0.78 ALDH1A1 (0.51) ALDH1A1MAPTPOLBMEN1KMT2A
SCHEMBL28940138 0.78 SMN1; SMN2 (0.57) ALDH1A1MAPTPOLBMEN1KMT2A
SCHEMBL18920930 0.76 ALDH1A1 (0.50) ALDH1A1MAPTPOLBMEN1KMT2A
SCHEMBL7866130 0.76 POLB (0.43) ALDH1A1MAPTPOLBMEN1KMT2A
SCHEMBL7861270 0.76 ALDH1A1 (0.43) ALDH1A1MAPTPOLBMEN1KMT2A
SCHEMBL28939847 0.75 ALDH1A1 (0.39) ALDH1A1MAPTPOLBMEN1KMT2A
SCHEMBL28940135 0.74 CYP2A6 (0.42) ALDH1A1MAPTPOLBMEN1KMT2A

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-115611868-A Furanamide derivative and preparation method and application thereof 山东大学 2023-01-17 CN claimed
CN-115611868-A Furanamide derivative and preparation method and application thereof 山东大学 2023-01-17 CN disclosed
US-6310092-B1 TREATING SYSTEMIC LUPUS, MULTIPLE SCLEROSIS, RHEUMATOID ARTHRITIS, SEPTIC SHOCK, ERYTHEMA NODOSUM LEPROSY, SEPTICEMIA, UVEITIS, ADULT RESPIRATORY DISTRESS SYNDROME OR INFLAMMATORY BOWEL DISEASE CENTAUR PHARMACEUTICALS, INC. 2001-10-30 US disclosed
EP-1047683-A1 THIOETHER FURAN NITRONE COMPOUNDS CENTAUR PHARMACEUTICALS, INC. (US) 2000-11-02 EP disclosed
US-6127408-A THIOETHER FURAN NITRONE COMPOUNDS; NERVOUS SYSTEM DEGENERATIVE DISORDERS, E.G. ALZHEIMER'S DISEASE; ANALYSIS OF FREE RADICALS BY FORMING ADDUCTS; INHIBIT THE FORMING OF A BETA(1-42) BETA-PLEATED SHEETS AND/OR SUPPRESSING CYTOKINES CENTAUR PHARMACEUTICALS, INC. (US) 2000-10-03 US disclosed
US-5998469-A NERVOUS SYSTEM DIOSRDERS; AUTOIMMUNE DISEASES; ANTIINFLAMMATORY AGENTS CENTAUR PHARMACEUTICALS, INC. (US) 1999-12-07 US disclosed
WO-1999036415-A1 THIOETHER FURAN NITRONE COMPOUNDS CENTAUR PHARMACEUTICALS, INC. (US) 1999-07-22 WO disclosed