SCHEMBL9130384

SCHEMBL9130384

O=C1CCc2c(c(=O)c3cccnc3n2-c2ccccc2)C1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 1/20 0.47
ALDH1A1 P00352 1/20 0.46
TSHR P16473 1/20 0.46
CYP2C19 P33261 1/20 0.46
PDE4A P27815 8/20 0.43
PDE4B Q07343 6/20 0.43
PDE4C Q08493 6/20 0.43
PDE4D Q08499 6/20 0.43
LDHA P00338 1/20 0.41
PDE1A P54750 1/20 0.38
PDE1B Q01064 1/20 0.38
LOXL3 P58215 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.38
MAPK8 P45983 1/20 0.37
KCNH2 Q12809 1/20 0.37
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
REN P00797 2/20 0.36

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
SCHEMBL9132364 0.85 FEN1 (0.50) FEN1ALDH1A1TSHRCYP2C19PDE4A
SCHEMBL9131517 0.82 FEN1 (0.45) FEN1ALDH1A1TSHRCYP2C19PDE4A
SCHEMBL9132830 0.78 FEN1 (0.46) FEN1ALDH1A1TSHRCYP2C19PDE4A
SCHEMBL9131042 0.76 PTGDR2 (0.46) FEN1ALDH1A1TSHRCYP2C19PDE4A
SCHEMBL10377175 0.74 FEN1 (0.47) FEN1ALDH1A1TSHRCYP2C19PDE4A
SCHEMBL9352322 0.74 FEN1 (0.47) FEN1ALDH1A1TSHRCYP2C19PDE4A
SCHEMBL9726994 0.73 PDE4A (0.47) FEN1ALDH1A1TSHRCYP2C19PDE4A
SCHEMBL10841285 0.72 FEN1 (0.45) FEN1ALDH1A1TSHRCYP2C19PDE4A
SCHEMBL30438257 0.72 MAPT (0.49) FEN1ALDH1A1TSHRCYP2C19PDE4A
SCHEMBL6009928 0.72 MAPT (0.49) FEN1ALDH1A1TSHRCYP2C19PDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5439916-A Antiallergens,-inflammatory and -ulcer agents; hypotensive agents; immunosuppressants; skin disorders SCHERING CORPORATION (US) 1995-08-08 US disclosed
US-5126352-A Antiallergy, antiinflammatory, antiulcer, hypotensive, antibody inhibitors SCHERING CORPORATION (US) 1992-06-30 US disclosed
US-5116840-A Antiulcer, antiinflammatory, hypotensive, immunosuppressants SCHERING CORPORATION (US) 1992-05-26 US disclosed
EP-0229823-B1 POLYCYCLIC QUINOLINE, NAPHTHYRIDINE AND PYRAZINOPYRIDINE DERIVATIVES SCHERING CORPORATION (US) 1991-09-25 EP disclosed
US-4988705-A Antiallergens and -inflammatory agents; hypotensive agents immunological suppression; hyperproliferative skin disorders such as psoriasis SCHERING CORPORATION (US) 1991-01-29 US disclosed
US-4810708-A ANTIALLERGY, IMMUNOSUPPRESSIVE SCHERING CORPORATION (US) 1989-03-07 US disclosed