SCHEMBL6606002

SCHEMBL6606002

COc1cnc(C(C#N)=Cc2cc[n+]([O-])cc2)cc1OC1Cc2ccccc2C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
ATM Q13315 1/20 0.41
EGFR P00533 2/20 0.41
IGF1R P08069 1/20 0.41
IGF2R P11717 1/20 0.41
PDE4B Q07343 8/20 0.38
HPGD P15428 1/20 0.37
PDE4A P27815 5/20 0.37
PDE4C Q08493 5/20 0.37
PDE4D Q08499 5/20 0.37
GAA P10253 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
USP2 O75604 2/20 0.36
POLB P06746 2/20 0.36
KDM4E B2RXH2 3/20 0.35
NPSR1 Q6W5P4 2/20 0.35
ALDH1A1 P00352 2/20 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
SCHEMBL6611390 0.87 MAPT (0.46) MAPTMEN1KMT2AATMEGFR
SCHEMBL6611396 0.87 MAPT (0.46) MAPTMEN1KMT2AATMEGFR
SCHEMBL6607496 0.85 PDE4B (0.37) MAPTMEN1KMT2AATMEGFR
SCHEMBL6611008 0.84 SMN1; SMN2 (0.38) MAPTMEN1KMT2AATMEGFR
SCHEMBL6606341 0.83 MAPT (0.37) MAPTMEN1KMT2AATMEGFR
SCHEMBL6607800 0.81 EGFR (0.46) MAPTMEN1KMT2AATMEGFR
SCHEMBL6607790 0.81 EGFR (0.46) MAPTMEN1KMT2AATMEGFR
SCHEMBL6609089 0.81 MAPT (0.46) MAPTMEN1KMT2AATMEGFR
SCHEMBL6609083 0.81 MAPT (0.46) MAPTMEN1KMT2AATMEGFR
SCHEMBL6612839 0.80 PDE4B (0.41) 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