SCHEMBL9130735

SCHEMBL9130735

CS(=O)(=O)c1cccc(-n2c3c(c(=O)c4cccnc42)CCC3)c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.41
PDE4A P27815 1/20 0.41
MAPK8 P45983 1/20 0.41
TNF P01375 1/20 0.39
LITAF Q99732 1/20 0.39
NR1H2 P55055 2/20 0.38
NR1H3 Q13133 2/20 0.38
KRAS P01116 1/20 0.38
MET P08581 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35
DRD2 P14416 1/20 0.35
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35
HSD11B1 P28845 1/20 0.35
MLYCD O95822 1/20 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
SCHEMBL9132418 0.82 PDE4B (0.45) KCNH2PDE4ATNFLITAFDDB1
SCHEMBL9130617 0.82 PDE4A (0.37) PDE4ADDB1CRBN
SCHEMBL9129878 0.81 PMM2 (0.38) KCNH2PDE4ADDB1CRBN
SCHEMBL9132364 0.81 FEN1 (0.50) KCNH2PDE4ADDB1CRBN
SCHEMBL30438257 0.81 MAPT (0.49) PDE4ADDB1CRBN
SCHEMBL6009928 0.81 MAPT (0.49) PDE4ADDB1CRBN
SCHEMBL9129320 0.80 DDB1 (0.37) KCNH2PDE4ADDB1CRBN
SCHEMBL9129767 0.78 PDE4A (0.53) PDE4AMET
SCHEMBL10660620 0.76 TNF (0.38) KCNH2PDE4AMAPK8TNFLITAF
SCHEMBL10659551 0.76 EPHB4 (0.38) KCNH2PDE4AMAPK8TNFLITAF

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