SCHEMBL19488236

SCHEMBL19488236

CC1=CC(=C(C#N)C#N)NC1=O

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 3/20 0.35
▸ MAPK1 P28482 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ RXFP1 Q9HBX9 1/20 0.32
▸ RCE1 Q9Y256 1/20 0.32

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
SCHEMBL28135131 0.78 EGFR (0.40) EGFR
SCHEMBL27261435 0.72 — —
SCHEMBL5200115 0.70 ACHE (0.38) KDM4E
SCHEMBL9422069 0.64 GSK3A (0.43) EGFR
SCHEMBL996566 0.63 GSK3A (0.33) —
SCHEMBL36967 0.63 — —
SCHEMBL27284275 0.61 EGFR (0.38) EGFRKDM4ERXFP1RCE1
SCHEMBL10078621 0.61 ALDH1A1 (0.42) KDM4ERXFP1RCE1
SCHEMBL7971367 0.60 ALDH1A1 (0.33) KDM4E
SCHEMBL1473182 0.59 RXFP1 (0.65) EGFRKDM4ERXFP1RCE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9798044-B2 Nonlinear optical materials and nonlinear optical device using the same FUJIFILM CORPORATION (JP) 2017-10-24 — — US disclosed
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