SCHEMBL19832616

SCHEMBL19832616

Cc1ccccc1C(=N)C(=O)c1ccc2c(c1)C(CCC#N)(CCC#N)c1ccccc1-2

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ APEX1 P27695 1/20 0.35
▸ PDK2 Q15119 16/20 0.33
▸ HTR7 P34969 1/20 0.31
▸ HTR2B P41595 1/20 0.31
▸ GPBAR1 Q8TDU6 1/20 0.31

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
SCHEMBL18838855 0.87 APEX1 (0.38) APEX1PDK2HTR7HTR2B
SCHEMBL24426159 0.86 APEX1 (0.37) APEX1PDK2HTR7HTR2B
SCHEMBL28635928 0.85 PDK2 (0.39) APEX1PDK2HTR7HTR2B
SCHEMBL24426185 0.82 APEX1 (0.40) APEX1PDK2
SCHEMBL18374826 0.82 PDK2 (0.31) APEX1PDK2HTR7HTR2B
SCHEMBL24426169 0.75 CNR2 (0.43) —
SCHEMBL19832350 0.74 CNR2 (0.38) APEX1PDK2
SCHEMBL17084351 0.73 ALDH1A1 (0.42) APEX1PDK2
SCHEMBL21025504 0.73 ALDH1A1 (0.44) APEX1PDK2
SCHEMBL18812934 0.72 APEX1 (0.36) APEX1PDK2HTR7HTR2B

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
EP-3275940-A1 ENERGY-SENSITIVE RESIN COMPOSITION Tokyo Ohka Kogyo Co., Ltd. (JP) 2018-01-31 — — EP disclosed
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