SCHEMBL9627587

SCHEMBL9627587

CC(C)c1ccccc1N(C(=N)N)c1ccccc1C(C)C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.42
GABRA1 P14867 3/20 0.42
GABRB2 P47870 2/20 0.42
GABRG2 P18507 2/20 0.39
GABRB3 P28472 2/20 0.39
FAAH O00519 2/20 0.39
LMNA P02545 2/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
GABRB1 P18505 1/20 0.39
PTGS1 P23219 1/20 0.39
SLC6A2 P23975 1/20 0.39
HTR2C P28335 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
HTR2B P41595 1/20 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
SCHEMBL8334067 0.90 SIGMAR1 (0.37) SIGMAR1GABRA1GABRB2GABRG2GABRB3
SCHEMBL9626664 0.89 SIGMAR1 (0.54) SIGMAR1CYP1A2ALOX5
SCHEMBL6158953 0.81 SIGMAR1 (0.39) SIGMAR1GABRA1GABRG2GABRB3ALOX5
SCHEMBL8398385 0.81 SIGMAR1 (0.42) SIGMAR1CYP1A2CYP3A4SLC6A2ALOX5
SCHEMBL9177867 0.80 GABRA1 (0.46) SIGMAR1GABRA1GABRB2GABRG2GABRB3
SCHEMBL8335346 0.79 PRSS1 (0.42) CYP1A2CYP3A4SLC6A2AOC3KMT2A
SCHEMBL8397401 0.79 SIGMAR1 (0.54) SIGMAR1LMNATSHRKMT2A
SCHEMBL6156768 0.78 SIGMAR1 (0.40) SIGMAR1ALOX5
SCHEMBL8400924 0.78 HTR2C (0.37) SIGMAR1TSHRSLC6A2HTR2CHTR2B
SCHEMBL6616831 0.74 ALOX5 (0.40) SIGMAR1GABRA1GABRB2GABRG2GABRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024024531-A1 METHOD FOR VULCANIZING RUBBER LAMINATE FOR TIRE AND METHOD FOR MANUFACTURING RETREADED TIRE 株式会社ブリヂストン 2024-02-01 WO disclosed
WO-2023228463-A1 METHOD FOR PRODUCING RUBBER COMPOSITION, RUBBER COMPOSITION AND TIRE 株式会社ブリヂストン 2023-11-30 WO disclosed
EP-0178952-B1 TONER, CHARGE-IMPARTING MATERIAL AND COMPOSITION CONTAINING POSITIVELY CHARGEABLE COMPOUND CANON KABUSHIKI KAISHA (JP) 1992-04-01 EP disclosed
EP-0179642-B1 TONER, CHARGE-IMPARTING MATERIAL AND COMPOSITION CONTAINING SUBSTITUTED GUANIDINE COMPOUND CANON KABUSHIKI KAISHA (JP) 1991-12-18 EP disclosed
US-5071727-A Development of electrostatic latent images CANON KABUSHIKI KAISHA (JP) 1991-12-10 US disclosed
US-4663263-A Toner, charge-imparting material and composition containing substituted guanidine compound for electrophotography CANON KABUSHIKI KAISHA (JP) 1987-05-05 US disclosed
EP-0179642-A2 Toner, charge-imparting material and composition containing substituted guanidine compound CANON KABUSHIKI KAISHA (JP) 1986-04-30 EP disclosed
EP-0178952-A2 Toner, charge-imparting material and composition containing positively chargeable compound CANON KABUSHIKI KAISHA (JP) 1986-04-23 EP disclosed