SCHEMBL9130617

SCHEMBL9130617

Nc1cccc(-n2c3c(c(=O)c4cccnc42)CCC3)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 3/20 0.37
DDB1 Q16531 2/20 0.37
CRBN Q96SW2 2/20 0.37
FEN1 P39748 1/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP2C19 P33261 2/20 0.36
TSHR P16473 2/20 0.36
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALOX15 P16050 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
EPHB4 P54760 1/20 0.35
CYP1A2 P05177 1/20 0.35
HPGD P15428 1/20 0.35
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
PDE4B Q07343 2/20 0.34

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) PDE4ADDB1CRBNFEN1ALDH1A1
SCHEMBL30438257 0.84 MAPT (0.49) PDE4ADDB1CRBNFEN1ALDH1A1
SCHEMBL6009928 0.84 MAPT (0.49) PDE4ADDB1CRBNFEN1ALDH1A1
SCHEMBL9132418 0.84 PDE4B (0.45) PDE4ADDB1CRBNFEN1ALDH1A1
SCHEMBL9129878 0.83 PMM2 (0.38) PDE4ADDB1CRBNFEN1ALDH1A1
SCHEMBL9130735 0.82 KCNH2 (0.41) PDE4ADDB1CRBN
SCHEMBL9129767 0.82 PDE4A (0.53) PDE4AALDH1A1TSHRKMT2AMEN1
SCHEMBL9129320 0.82 DDB1 (0.37) PDE4ADDB1CRBNFEN1ALDH1A1
SCHEMBL10740689 0.76 EPHB4 (0.40) PDE4ADDB1CRBNFEN1ALDH1A1
SCHEMBL9133313 0.73 CYP2C19 (0.45) PDE4ADDB1CRBNFEN1ALDH1A1

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
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
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