SCHEMBL29048628

SCHEMBL29048628

CCc1cc(Cl)ccc1-c1cc(-c2ccc(Nc3c(C)cc(C)cc3C)cc2)ccn1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 15/20 0.39
MAP4K4 O95819 1/20 0.36
SHMT1 P34896 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
PIK3CA P42336 2/20 0.34
PIK3CB P42338 2/20 0.34
PIK3CG P48736 2/20 0.34

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
SCHEMBL29048688 0.89 PIK3CG (0.40) MAP4K4SHMT1CYP3A4CYP2D6PSEN1
SCHEMBL30526039 0.88 RAPGEF4 (0.41) RAPGEF4
SCHEMBL29048689 0.77 MAP4K4 (0.40) MAP4K4SHMT1PIK3CG
SCHEMBL29048631 0.77 ROS1 (0.37) MAP4K4SHMT1PIK3CG
SCHEMBL30525983 0.76 AGPAT2 (0.45) SHMT1PIK3CG
SCHEMBL29048615 0.76 RAPGEF4 (0.38) RAPGEF4
SCHEMBL28352643 0.76 RAPGEF4 (0.47) RAPGEF4
SCHEMBL29048658 0.75 MAPK10 (0.44) RAPGEF4CYP2D6
SCHEMBL31368585 0.74 AGPAT2 (0.46) RAPGEF4
SCHEMBL21670520 0.74 AGPAT2 (0.46) RAPGEF4

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
CN-110446770-B Reversible thermochromic composition and reversible thermochromic microcapsule pigment containing the same 百乐墨水株式会社 2023-08-08 CN disclosed