SCHEMBL1388950

SCHEMBL1388950

CCCCCCCCCCCCC1=NC(=Cc2[nH]c(-c3ccc[nH]3)cc2OCC)C=C1

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 1/20 0.32
EZH2 Q15910 1/20 0.32
GPR84 Q9NQS5 1/20 0.30
PTGS2 P35354 1/20 0.30

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
SCHEMBL7515295 1.00 CDK2 (0.32) CDK2EZH2GPR84PTGS2
SCHEMBL7515294 1.00 CDK2 (0.32) CDK2EZH2GPR84PTGS2
SCHEMBL1389051 1.00 CDK2 (0.32) CDK2EZH2GPR84PTGS2
SCHEMBL7512816 1.00 CDK2 (0.32) CDK2EZH2GPR84PTGS2
SCHEMBL1388949 1.00 CDK2 (0.32) CDK2EZH2GPR84PTGS2
SCHEMBL7514668 1.00 CDK2 (0.32) CDK2EZH2GPR84PTGS2
SCHEMBL7514661 1.00 CDK2 (0.32) CDK2EZH2GPR84PTGS2
Hydrochloric Acid SCHEMBL7596062 0.99 CDK2 (0.32) CDK2EZH2GPR84
SCHEMBL7511556 0.94 EZH2 (0.32) EZH2GPR84
SCHEMBL1388976 0.94 EZH2 (0.32) EZH2GPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0686147-B1 NOVEL 2,2'-BI-1H-PYRROLE DERIVATIVES WITH IMMUNOSUPPRESSANT ACTIVITY PHARMACIA ITALIA SPA (IT) 2002-09-25 EP claimed
EP-0866701-B1 SYNERGISTIC IMMUNOSUPPRESSANT COMPOSITION CONTAINING A 2,2'-BI-1H-PYRROLE COMPOUND PHARMACIA & UPJOHN SPA (IT) 2002-01-16 EP claimed
EP-0825983-B1 PROCESS FOR THE PREPARATION OF 2,2'-BIPYRROLYL-PYRROMETHENE (PRODIGIOSINS) DERIVATIVES PHARMACIA & UPJOHN SPA (IT) 2001-08-29 EP claimed
JP-H08507090-A 1996-07-30 JP claimed
EP-0686147-A1 NOVEL 2,2'-BI-1H-PYRROLE DERIVATIVES WITH IMMUNOSUPPRESSANT ACTIVITY PHARMACIA & UPJOHN S.p.A. (IT) 1995-12-13 EP claimed
WO-1995017381-A1 NOVEL 2,2'-BI-1H-PYRROLE DERIVATIVES WITH IMMUNOSUPPRESSANT ACTIVITY PHARMACIA S.P.A. (IT) 1995-06-29 WO claimed
EP-0686147-B1 NOVEL 2,2'-BI-1H-PYRROLE DERIVATIVES WITH IMMUNOSUPPRESSANT ACTIVITY PHARMACIA ITALIA SPA (IT) 2002-09-25 EP disclosed
EP-1241162-A1 2,2'-bi-1H-pyrrole derivatives with immunosuppressant activity Pharmacia Italia S.p.A. (IT) 2002-09-18 EP disclosed
EP-0866701-B1 SYNERGISTIC IMMUNOSUPPRESSANT COMPOSITION CONTAINING A 2,2'-BI-1H-PYRROLE COMPOUND PHARMACIA & UPJOHN SPA (IT) 2002-01-16 EP disclosed
US-6291509-B1 Synergistic immunosuppressant composition containing a 2,2'-bi-1H-pyrrole compound PHARMACIA & UPJOHN SPA (IT) 2001-09-18 US disclosed
EP-0825983-B1 PROCESS FOR THE PREPARATION OF 2,2'-BIPYRROLYL-PYRROMETHENE (PRODIGIOSINS) DERIVATIVES PHARMACIA & UPJOHN SPA (IT) 2001-08-29 EP disclosed
US-5847127-A Process for the preparation of 2,2'-bipyrrolyl-pyrromethene (prodigiosins) derivatives PHARMACIA & UPJOHN S.P.A. (IT) 1998-12-08 US disclosed
US-5691334-A IMMUNOMODULATORS FOR SKIN GRAFTS, AUTOIMMUNE AND FOR ORGAN TRANSPLANTS PHARMACIA & UPJOHN S.P.A. (IT) 1997-11-25 US disclosed
EP-0686147-A1 NOVEL 2,2'-BI-1H-PYRROLE DERIVATIVES WITH IMMUNOSUPPRESSANT ACTIVITY PHARMACIA & UPJOHN S.p.A. (IT) 1995-12-13 EP disclosed
WO-1995017381-A1 NOVEL 2,2'-BI-1H-PYRROLE DERIVATIVES WITH IMMUNOSUPPRESSANT ACTIVITY PHARMACIA S.P.A. (IT) 1995-06-29 WO disclosed