SCHEMBL16372499

SCHEMBL16372499

COc1ccc2cc3c(cc2c1)C(C)(C)c1ccccc1N3

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.47
▸ CYP2A6 P11509 1/20 0.47
▸ MAPT P10636 4/20 0.43
▸ KMT2A Q03164 4/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ NOX1 Q9Y5S8 2/20 0.43
▸ LMNA P02545 2/20 0.43
▸ GAA P10253 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ KDM4E B2RXH2 3/20 0.41
▸ POLB P06746 1/20 0.41
▸ PGR P06401 1/20 0.41
▸ PDK2 Q15119 3/20 0.40
▸ PDK4 Q16654 1/20 0.40
▸ ATM Q13315 1/20 0.39
▸ RAB9A P51151 3/20 0.39

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
SCHEMBL17291894 0.86 NOX1 (0.53) CYP1A2CYP2A6MAPTKMT2AMEN1
SCHEMBL25718764 0.86 MAPT (0.53) CYP1A2CYP2A6MAPTKMT2AMEN1
SCHEMBL30271921 0.84 PDK2 (0.50) MAPTKMT2AMEN1NOX1LMNA
SCHEMBL12776293 0.84 PDK2 (0.50) MAPTKMT2AMEN1NOX1LMNA
SCHEMBL23928095 0.77 SNCA (0.50) MAPTKMT2AMEN1NOX1LMNA
SCHEMBL23960646 0.77 SNCA (0.55) MAPTKMT2AMEN1NOX1LMNA
SCHEMBL12776857 0.77 GAA (0.44) CYP1A2CYP2A6MAPTKMT2AMEN1
SCHEMBL12723263 0.77 PDK2 (0.57) CYP1A2MAPTKMT2AMEN1NOX1
SCHEMBL25012048 0.75 PDK2 (0.55) CYP1A2MAPTKMT2AMEN1NOX1
SCHEMBL31911 0.73 PDK2 (0.67) CYP1A2MAPTKMT2AMEN1NOX1

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-20140374733-A1 PHOTOELECTRIC CONVERSION ELEMENT, METHOD FOR USING THE SAME, IMAGING DEVICE, PHOTOSENSOR, AND COMPOUND FUJIFILM CORPORATION (JP) 2014-12-25 — — US disclosed
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