SCHEMBL6609083

SCHEMBL6609083

COC(=O)c1cc(/C=C(\C#N)c2cc(OC3Cc4ccccc4C3)c(OC)cn2)ccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.46
KDM4E B2RXH2 6/20 0.46
ALDH1A1 P00352 4/20 0.46
EGFR P00533 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
IGF1R P08069 1/20 0.46
IGF2R P11717 1/20 0.46
NPC1 O15118 1/20 0.46
NFKB1 P19838 1/20 0.46
RAB9A P51151 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
ATM Q13315 1/20 0.44
HPGD P15428 3/20 0.41
LMNA P02545 2/20 0.40
HTT P42858 2/20 0.40
PDE4B Q07343 8/20 0.40
GAA P10253 2/20 0.40

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
SCHEMBL6609089 1.00 MAPT (0.46) MAPTKDM4EALDH1A1EGFRSMN1; SMN2
SCHEMBL6607790 0.92 EGFR (0.46) MAPTKDM4EALDH1A1EGFRSMN1; SMN2
SCHEMBL6607800 0.92 EGFR (0.46) MAPTKDM4EALDH1A1EGFRSMN1; SMN2
SCHEMBL6611390 0.87 MAPT (0.46) MAPTKDM4EALDH1A1EGFRSMN1; SMN2
SCHEMBL6611396 0.87 MAPT (0.46) MAPTKDM4EALDH1A1EGFRSMN1; SMN2
SCHEMBL6610871 0.86 MAPT (0.44) MAPTKDM4EALDH1A1EGFRSMN1; SMN2
SCHEMBL6610876 0.86 MAPT (0.44) MAPTKDM4EALDH1A1EGFRSMN1; SMN2
SCHEMBL6609189 0.85 MAPT (0.43) MAPTKDM4EALDH1A1EGFRSMN1; SMN2
SCHEMBL6609196 0.85 MAPT (0.43) MAPTKDM4EALDH1A1EGFRSMN1; SMN2
SCHEMBL6606002 0.81 MAPT (0.41) MAPTKDM4EALDH1A1EGFRSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0882714-B1 SUBSTITUTED VINYLPYRIDINE DERIVATIVES AND DRUGS CONTAINING THE SAME SS PHARMACEUTICAL CO (JP) 2004-03-03 EP disclosed
US-5935977-A PHOSPHODIESTERASE IV INHIBITORS, TUMOR NECROSIS FACTOR-ALPHA PRODUCTION INHIBITORS; TREATING INFLAMMATORY AND AUTOIMMUNE DISEASES SS PHARMACEUTICAL CO., LTD. (JP) 1999-08-10 US disclosed
EP-0882714-A1 SUBSTITUTED VINYLPYRIDINE DERIVATIVES AND DRUGS CONTAINING THE SAME SS Pharmaceutical Co., Ltd. (JP) 1998-12-09 EP disclosed