SCHEMBL7581053

SCHEMBL7581053

CCOc1cc(-c2ccc(C=O)[nH]2)[nH]c1C=O

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.38
MAPT P10636 3/20 0.37
LMNA P02545 1/20 0.36
HIF1A Q16665 5/20 0.35
EPAS1 Q99814 5/20 0.35
KDM4E B2RXH2 1/20 0.33
TACR2 P21452 1/20 0.32
GRK6 P43250 1/20 0.31
HPGD P15428 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL3878366 0.83 ALDH1A1 (0.40) ALDH1A1MAPTLMNAHIF1AEPAS1
SCHEMBL7581044 0.79 CDK2 (0.42) ALDH1A1MAPTLMNAKDM4ETACR2
SCHEMBL4364501 0.76 EZH2 (0.49) ALDH1A1MAPTLMNAKDM4EHPGD
SCHEMBL9766726 0.71 ALDH1A1 (0.53) ALDH1A1MAPTLMNAHIF1AEPAS1
SCHEMBL4364499 0.70 PDGFRB (0.44) MAPTKDM4E
SCHEMBL3878362 0.64 TUBB4A (0.39) ALDH1A1LMNAKDM4ETDP1
SCHEMBL9766756 0.62 GRIN2D (0.37) ALDH1A1
SCHEMBL11714636 0.62 KMT2A (0.41) ALDH1A1MAPTLMNAKDM4EHPGD
SCHEMBL12687094 0.62 ALDH1A1 (0.42) ALDH1A1MAPTHIF1AEPAS1
SCHEMBL12687033 0.60 ALDH1A1 (0.41) ALDH1A1MAPTHIF1AEPAS1

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-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
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