SCHEMBL29595

SCHEMBL29595

Cc1cc(N)ccc1Nc1cc(Nc2ccc(N)cc2C)cc(Nc2ccc(N)cc2C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
MAPT P10636 5/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
GAA P10253 5/20 0.46
TDP1 Q9NUW8 3/20 0.46
ALOX15 P16050 2/20 0.46
HTT P42858 1/20 0.46
PDE10A Q9Y233 1/20 0.45
TNIK Q9UKE5 2/20 0.44
KDM4E B2RXH2 4/20 0.44
L3MBTL1 Q9Y468 4/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
POLB P06746 2/20 0.44
RECQL P46063 2/20 0.44
CASP6 P55212 2/20 0.44
ELAVL1 Q15717 1/20 0.44

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
SCHEMBL29764005 1.00 ALDH1A1 (0.50) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL11783393 0.87 GAA (0.50) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL30514623 0.86 GAA (0.65) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL11206431 0.86 GAA (0.65) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL23999890 0.83 RAD52 (0.55) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL11291419 0.81 ALDH1A1 (0.50) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL186343 0.80 NR4A1 (0.62) ALDH1A1MAPTGAATDP1HTT
SCHEMBL20155654 0.80 TNIK (0.44) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL8335509 0.79 MAPT (0.51) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL7974346 0.78 RAPGEF4 (0.55) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230027931-A1 THERMOPLASTIC MOULDING COMPOSITION CONTAINING POLYALKYLENE TEREPHTHALATE BASF SE (DE) 2023-01-26 US disclosed
CN-103608405-B Thermoplastic molding compound BASF SE 2015-06-10 CN disclosed
US-8987357-B2 Thermoplastic molding composition BASF SE (DE) 2015-03-24 US disclosed
US-20140045070-A1 ELECTROCHEMICAL CELLS COMPRISING POLYIMIDES BASF SE (DE) 2014-02-13 US disclosed
EP-2609646-A1 ELECTROLYTE MATERIALS FOR USE IN ELECTROCHEMICAL CELLS BASF SE (DE) 2013-07-03 EP disclosed
US-20120302677-A1 THERMOPLASTIC MOLDING COMPOSITION BASF SE (DE) 2012-11-29 US disclosed
WO-2012025543-A1 ELECTROLYTE MATERIALS FOR USE IN ELECTROCHEMICAL CELLS BASF SE (DE) 2012-03-01 WO disclosed
US-8093349-B2 Terminally modified polybranched polyimide, metal-plated terminally modified polybranched polyimide, and method for producing the same UBE INDUSTRIES, LTD. (JP) 2012-01-10 US disclosed
US-20100009206-A1 TERMINALLY MODIFIED POLYBRANCHED POLYIMIDE, METAL-PLATED TERMINALLY MODIFIED POLYBRANCHED POLYIMIDE, AND METHOD FOR PRODUCING THE SAME UBE INDUSTRIES, LTD. (JP) 2010-01-14 US disclosed