SCHEMBL12545552

SCHEMBL12545552

C=Cc1nc2ccccc2n1-c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.56
HTT P42858 1/20 0.56
KMT2A Q03164 5/20 0.46
ALDH1A1 P00352 5/20 0.46
MEN1 O00255 4/20 0.46
RECQL P46063 2/20 0.46
CRHBP P24387 2/20 0.46
CRHR2 Q13324 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
TSHR P16473 2/20 0.45
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44
PRKACA P17612 1/20 0.43
RPS6KB1 P23443 1/20 0.43
GSK3B P49841 1/20 0.43
ROCK1 Q13464 1/20 0.43
KDM4E B2RXH2 6/20 0.42
MAPT P10636 4/20 0.42
RAB9A P51151 4/20 0.42
NPC1 O15118 3/20 0.42

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
SCHEMBL21351049 0.90 ESR1 (0.50) MAPK1HTTKMT2AALDH1A1MEN1
SCHEMBL2086648 0.82 MAPK1 (0.56) MAPK1HTTKMT2AALDH1A1MEN1
SCHEMBL6583386 0.79 KDM4E (0.64) MAPK1HTTKMT2AALDH1A1MEN1
SCHEMBL6583378 0.79 KDM4E (0.64) MAPK1HTTKMT2AALDH1A1MEN1
SCHEMBL8550750 0.79 KDM4E (0.64) MAPK1HTTKMT2AALDH1A1MEN1
SCHEMBL24416933 0.78 TSHR (0.41) MAPK1HTTKMT2AALDH1A1MEN1
SCHEMBL8553005 0.76 ALDH1A1 (0.53) MAPK1HTTKMT2AALDH1A1MEN1
SCHEMBL8552995 0.76 ALDH1A1 (0.53) MAPK1HTTKMT2AALDH1A1MEN1
SCHEMBL6585397 0.76 RECQL (0.49) MAPK1HTTKMT2AALDH1A1MEN1
SCHEMBL6585394 0.76 RECQL (0.49) MAPK1HTTKMT2AALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9847490-B2 Copolymer, material for organic electronic element, material for organic electroluminescent element, and organic electroluminescent element IDEMITSU KOSAN CO., LTD. (JP) 2017-12-19 US disclosed
US-9847490-B2 Copolymer, material for organic electronic element, material for organic electroluminescent element, and organic electroluminescent element IDEMITSU KOSAN CO., LTD. (JP) 2017-12-19 US disclosed
US-20150280131-A1 COPOLYMER, MATERIAL FOR ORGANIC ELECTRONIC ELEMENT, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, AND ORGANIC ELECTROLUMINESCENT ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2015-10-01 US disclosed
US-20150280131-A1 COPOLYMER, MATERIAL FOR ORGANIC ELECTRONIC ELEMENT, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, AND ORGANIC ELECTROLUMINESCENT ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2015-10-01 US disclosed
US-9000111-B2 Thermoplastic resin, organic-inorganic hybrid composition and optical parts FUJIFILM CORPORATION (JP) 2015-04-07 US disclosed
US-9000111-B2 Thermoplastic resin, organic-inorganic hybrid composition and optical parts FUJIFILM CORPORATION (JP) 2015-04-07 US disclosed
US-8513649-B2 Vinyl-based polymer with silicon or/and tin and organic light emission diode using the same CHEIL INDUSTRIES, INC. (KR) 2013-08-20 US disclosed
US-8513649-B2 Vinyl-based polymer with silicon or/and tin and organic light emission diode using the same CHEIL INDUSTRIES, INC. (KR) 2013-08-20 US disclosed
US-20110135903-A1 THERMOPLASTIC RESIN, ORGANIC-INORGANIC HYBRID COMPOSITION AND OPTICAL PARTS FUJIFILM CORPORATION (JP) 2011-06-09 US disclosed
US-20110135903-A1 THERMOPLASTIC RESIN, ORGANIC-INORGANIC HYBRID COMPOSITION AND OPTICAL PARTS FUJIFILM CORPORATION (JP) 2011-06-09 US disclosed
US-20100237329-A1 VINYL-BASED POLYMER WITH SILICON OR/AND TIN AND ORGANIC LIGHT EMISSION DIODE USING CHEIL INDUSTRIES, INC. (KR) 2010-09-23 US disclosed
US-20100237329-A1 VINYL-BASED POLYMER WITH SILICON OR/AND TIN AND ORGANIC LIGHT EMISSION DIODE USING CHEIL INDUSTRIES, INC. (KR) 2010-09-23 US disclosed