SCHEMBL8733365

SCHEMBL8733365

CCc1cccnc1-n1ccnc1C

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.47
CYP2E1 P05181 1/20 0.47
CYP2A6 P11509 1/20 0.47
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP19A1 P11511 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
ALDH1A1 P00352 1/20 0.41
ADH5 P11766 1/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38

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
SCHEMBL19080612 0.83 CYP3A4 (0.44) CYP3A4CYP2E1CYP2A6CYP1A2CYP2D6
SCHEMBL19090778 0.81 CYP3A4 (0.43) CYP3A4CYP2E1CYP2A6CYP1A2CYP2D6
SCHEMBL20988096 0.80 CYP3A4 (0.39) CYP3A4CYP2E1CYP2A6CYP1A2CYP2D6
SCHEMBL15445107 0.79 CYP3A4 (0.46) CYP3A4CYP2E1CYP2A6CYP1A2CYP2D6
SCHEMBL19090779 0.79 CYP3A4 (0.38) CYP3A4CYP2E1CYP2A6CYP1A2CYP2D6
SCHEMBL8501020 0.79 CYP3A4 (0.53) CYP3A4CYP2E1CYP2A6CYP1A2CYP2D6
SCHEMBL8498623 0.76 CYP3A4 (0.50) CYP3A4CYP2E1CYP2A6CYP1A2CYP2D6
SCHEMBL8502061 0.73 CYP3A4 (0.47) CYP3A4CYP2E1CYP2A6CYP1A2CYP2D6
SCHEMBL7130873 0.72 CYP2E1 (0.46) CYP3A4CYP2E1CYP2A6ALDH1A1
SCHEMBL7644327 0.69 TDP1 (0.44) CYP1A2CYP2C19ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0739395-B1 HEAT CURABLE TOUGHENED EPOXY RESIN COMPOSITIONS H B FULLER AUTOMOTIVE PRODUCTS (US) 1998-12-02 EP disclosed
EP-0739395-A1 HEAT CURABLE TOUGHENED EPOXY RESIN COMPOSITIONS H.B. Fuller Automotive Products, Inc. (US) 1996-10-30 EP disclosed
US-5548026-A TWO-PART ADHESIVE H. B. FULLER COMPANY (US) 1996-08-20 US disclosed
WO-1995012646-A1 HEAT CURABLE TOUGHENED EPOXY RESIN COMPOSITIONS H.B. FULLER AUTOMOTIVE PRODUCTS, INC. (US) 1995-05-11 WO disclosed