SCHEMBL28090016

SCHEMBL28090016

C=C1C=CC1c1cnc2ccccc2c1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.43
SLC6A4 P31645 1/20 0.43
PDGFRB P09619 3/20 0.39
PDGFRA P16234 3/20 0.39
MGAM O43451 1/20 0.39
ALDH1A1 P00352 3/20 0.38
CYP2A6 P11509 1/20 0.37
BIRC5 O15392 1/20 0.36
PIK3CD O00329 1/20 0.36
PIK3CA P42336 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL17785558 0.70 KDM4E (0.56) CYP1A2SLC6A4PDGFRBPDGFRAMGAM
SCHEMBL27684370 0.69 CYP1A2 (0.48) CYP1A2SLC6A4PDGFRBPDGFRAMGAM
SCHEMBL5974206 0.69 SLC6A4 (0.50) CYP1A2SLC6A4PDGFRBPDGFRAMGAM
SCHEMBL23914090 0.69 MGAM (0.41) CYP1A2SLC6A4PDGFRBPDGFRAMGAM
SCHEMBL3088721 0.68 PSMB5 (0.61) CYP1A2SLC6A4PDGFRBPDGFRAMGAM
SCHEMBL2527124 0.68 CYP1A2 (0.47) CYP1A2SLC6A4PDGFRBPDGFRAMGAM
SCHEMBL28090014 0.68 RAB9A (0.45) CYP1A2MGAMALDH1A1
SCHEMBL19606347 0.68 PSMB5 (0.57) CYP1A2SLC6A4PDGFRBPDGFRAMGAM
SCHEMBL13991760 0.68 SLC6A4 (0.52) CYP1A2SLC6A4PDGFRBPDGFRAMGAM
SCHEMBL10535903 0.68 SLC6A4 (0.43) CYP1A2SLC6A4PDGFRBPDGFRAMGAM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104045769-B Conjugated diene polymer, and the polymer composition containing the polymer 住友化学株式会社 2018-10-30 CN disclosed
CN-107001491-B Modified conjugated diene polymer and the polymer composition containing the polymer 住友化学株式会社 2018-07-06 CN disclosed
CN-104098744-B Conjugated diene polymer, and the polymer composition containing the polymer 住友化学株式会社 2018-02-16 CN disclosed
CN-104045768-B Conjugated diene polymer, and the polymer composition containing the polymer 住友化学株式会社 2018-02-16 CN disclosed
CN-107001491-A Modified conjugated diene polymer and the polymer composition containing the polymer 住友化学株式会社 2017-08-01 CN disclosed
CN-104334629-B Rubber composition for tire tread and pneumatic tire 住友橡胶工业株式会社 2016-08-24 CN disclosed