SCHEMBL4633672

SCHEMBL4633672

c1ccc(-c2cccc(C(c3ccccc3)(c3ccccc3)c3nnn[nH]3)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 5/20 0.40
GP6 Q9HCN6 1/20 0.38
PTPN5 P54829 1/20 0.37
KIF11 P52732 1/20 0.36
CYP17A1 P05093 1/20 0.35
CYP3A4 P08684 1/20 0.35
SCN2A Q99250 1/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
IKBKB O14920 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
NOTUM Q6P988 1/20 0.32
FGFR1 P11362 1/20 0.32
DYRK3 O43781 1/20 0.32
CLK1 P49759 1/20 0.32
CLK2 P49760 1/20 0.32
CLK3 P49761 1/20 0.32
GSK3B P49841 1/20 0.32
CDK5 Q00535 1/20 0.32

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
Biphenyl SCHEMBL9539322 0.92 ALDH1A1 (0.33) PTPN1GP6KIF11NOTUMNPC1
SCHEMBL198144 0.87 KCNN4 (0.32)
SCHEMBL16975529 0.83 KIF11 (0.37) PTPN5KIF11CYP3A4NPC1GAA
SCHEMBL5633434 0.81 TAAR1 (0.39) KIF11
SCHEMBL1132121 0.80
Phenylboronic Acid SCHEMBL988759 0.75 CA4 (0.44)
SCHEMBL30139540 0.74 KIF11 (0.40) KIF11KDM4ENPC1
SCHEMBL29518677 0.72
SCHEMBL8987735 0.71 ESR1 (0.41) CYP3A4KDM4EMAPTKMT2A
SCHEMBL4655029 0.69 GP6 (0.49) PTPN1GP6CYP3A4FGFR1DYRK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1931648-A2 PROCESSES FOR THE SYNTHESIS OF 5-PHENYL -1 TRITYL-1H-TETRAZOLE Teva Pharmaceutical Industries Ltd. (IL) 2008-06-18 EP claimed
WO-2008027385-A2 PROCESSES FOR THE SYNTHESIS OF 5-PHENYL -1 TRITYL-1H-TETRAZOLE TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2008-03-06 WO claimed
EP-1509517-A2 NOVEL SYNTHESIS OF IRBESARTAN TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2005-03-02 EP claimed
WO-2004065383-A2 NOVEL SYNTHESIS OF IRBESARTAN TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2004-08-05 WO claimed
EP-0654027-A1 PRODRUGS OF IMIDAZOLE CARBOXYLIC ACIDS AS ANGIOTENSIN II RECEPTOR ANTAGONISTS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1995-05-24 EP disclosed