SCHEMBL7975559

SCHEMBL7975559

O=C(O)/C=C/c1ccc(CCc2ccncc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 4/20 0.57
CYP1A2 P05177 2/20 0.56
USP2 O75604 1/20 0.56
LMNA P02545 1/20 0.56
MEN1 O00255 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C19 P33261 1/20 0.56
KMT2A Q03164 1/20 0.56
HCAR2 Q8TDS4 2/20 0.52
JUN P05412 1/20 0.52
NFKB1 P19838 1/20 0.52
CA12 O43570 1/20 0.52
AKR1B10 O60218 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
ESR1 P03372 1/20 0.52
CA3 P07451 1/20 0.52
PKM P14618 1/20 0.52
TYR P14679 1/20 0.52

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
SCHEMBL7975560 1.00 TBXAS1 (0.57) TBXAS1CYP1A2USP2LMNAMEN1
SCHEMBL23854259 0.84 HDAC3 (0.67) TBXAS1HCAR2CA12AKR1B10CA1
SCHEMBL3225302 0.84 HDAC3 (0.67) TBXAS1HCAR2CA12AKR1B10CA1
SCHEMBL7978812 0.83 NFKB1 (0.67) TBXAS1CYP1A2USP2LMNAMEN1
SCHEMBL7978810 0.83 NFKB1 (0.67) TBXAS1CYP1A2USP2LMNAMEN1
SCHEMBL7978819 0.83 NFKB1 (0.67) TBXAS1CYP1A2USP2LMNAMEN1
SCHEMBL7978817 0.83 NFKB1 (0.67) TBXAS1CYP1A2USP2LMNAMEN1
SCHEMBL333511 0.83 NFKB1 (0.72) TBXAS1CYP1A2USP2LMNAMEN1
SCHEMBL5717836 0.83 NFKB1 (0.72) TBXAS1CYP1A2USP2LMNAMEN1
SCHEMBL333510 0.83 NFKB1 (0.72) TBXAS1CYP1A2USP2LMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6194396-B1 ANTIALLERGENS; ANTIINFLAMMATION AGENTS; AUTOIMMUNE DISEASE; ANTISHOCK AGENTS; ANALGESICS; E.G., A 4 OR 7-PHENYLALKYLENE-OXYBENZIMIDAZOLE UNSUBSTITUTED OR SUBSTITUTED IN THE 1,2,3-POSITION WITH AN OXY, AMINO AND/OR THIO GROUP FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-02-27 US disclosed
US-6083961-A FOR PREVENTION AND/OR TREATMENT OF BRADYKININ OR ITS ANALOGUES MEDIATED DISEASES SUCH AS ALLERGY, INFLAMMATION, AUTOIMMUNE DISEASE, SHOCK, PAIN FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-07-04 US disclosed
EP-0774462-A1 HETEROCYCLIC COMPOUND FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-05-21 EP disclosed