SCHEMBL6606341

SCHEMBL6606341

COc1ccc(C(C#N)=Cc2cc[n+]([O-])cc2)nc1OC1Cc2ccccc2C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.37
MEN1 O00255 5/20 0.37
KMT2A Q03164 5/20 0.37
ATM Q13315 1/20 0.37
EGFR P00533 1/20 0.37
IGF1R P08069 1/20 0.37
IGF2R P11717 1/20 0.37
POLB P06746 4/20 0.36
USP2 O75604 3/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
PKM P14618 1/20 0.36
HPGD P15428 1/20 0.35
TNNI3 P19429 1/20 0.35
TNNT2 P45379 1/20 0.35
RECQL P46063 1/20 0.35
TNNC1 P63316 1/20 0.35
MCOLN3 Q8TDD5 1/20 0.35
GAA P10253 1/20 0.34
PDE4A P27815 3/20 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
SCHEMBL6609482 0.87 MAPT (0.41) MAPTMEN1KMT2AATMEGFR
SCHEMBL6609487 0.87 MAPT (0.41) MAPTMEN1KMT2AATMEGFR
SCHEMBL6606537 0.85 PDE4B (0.34) MAPTMEN1KMT2AATMEGFR
SCHEMBL6606002 0.83 MAPT (0.41) MAPTMEN1KMT2AATMEGFR
SCHEMBL6611313 0.80 EGFR (0.45) MAPTMEN1KMT2AATMEGFR
SCHEMBL6611309 0.80 EGFR (0.45) MAPTMEN1KMT2AATMEGFR
SCHEMBL6610871 0.79 MAPT (0.44) MAPTMEN1KMT2AATMEGFR
SCHEMBL6610876 0.79 MAPT (0.44) MAPTMEN1KMT2AATMEGFR
SCHEMBL6606526 0.79 PDE4B (0.42) MAPTMEN1KMT2AATMEGFR
SCHEMBL6606520 0.79 PDE4B (0.42) MAPTMEN1KMT2AATMEGFR

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-0882714-B1 SUBSTITUTED VINYLPYRIDINE DERIVATIVES AND DRUGS CONTAINING THE SAME SS PHARMACEUTICAL CO (JP) 2004-03-03 EP disclosed
EP-0882714-A1 SUBSTITUTED VINYLPYRIDINE DERIVATIVES AND DRUGS CONTAINING THE SAME SS Pharmaceutical Co., Ltd. (JP) 1998-12-09 EP disclosed