SCHEMBL8777030

SCHEMBL8777030

CCOc1ccc(C(Cc2ccccn2)C2NC(=O)c3ccccc32)cc1OCC

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.40
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
PDE4B Q07343 6/20 0.37
PDE4A P27815 5/20 0.37
PDE4C Q08493 5/20 0.37
PDE4D Q08499 5/20 0.37
CYP1A2 P05177 1/20 0.36
LMNA P02545 1/20 0.36
MGAM O43451 1/20 0.35
GAA P10253 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
MEN1 O00255 1/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL8777026 0.86 TNF (0.43) TNFKMT2AALDH1A1SMN1; SMN2PDE4B
SCHEMBL8777055 0.83 TNF (0.43) TNFKMT2AALDH1A1SMN1; SMN2PDE4B
SCHEMBL8779459 0.82 TNF (0.45) TNFKMT2AALDH1A1SMN1; SMN2PDE4B
SCHEMBL3692514 0.81 PDE4A (0.53) TNFKMT2AALDH1A1SMN1; SMN2PDE4B
SCHEMBL8779469 0.81 TNF (0.42) TNFALDH1A1SMN1; SMN2PDE4BPDE4A
SCHEMBL7846184 0.77 PDE4A (0.60) TNFKMT2AALDH1A1SMN1; SMN2PDE4B
SCHEMBL8777024 0.75 TNF (0.63) TNFPDE4BPDE4APDE4CPDE4D
SCHEMBL7836605 0.74 PDE4A (0.50) TNFSMN1; SMN2PDE4BPDE4APDE4C
SCHEMBL3697869 0.74 PDE4A (0.52) TNFSMN1; SMN2PDE4BPDE4APDE4C
SCHEMBL3690301 0.74 PDE4A (0.52) TNFSMN1; SMN2PDE4BPDE4APDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0800514-A1 SUBSTITUTED IMIDES AS TNF INHIBITORS CELGENE CORPORATION (US) 1997-10-15 EP disclosed
WO-1996020926-A1 SUBSTITUTED IMIDES AS TNF INHIBITORS CELGENE CORPORATION (US) 1996-07-11 WO disclosed