SCHEMBL5671680

SCHEMBL5671680

c1ccc(C(=NN(c2ccccc2)c2ccccc2)c2cccc(-c3ccccc3)c2-c2ccccc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HNF4A P41235 1/20 0.38
▸ LTB4R2 Q9NPC1 3/20 0.36
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ BCAT2 O15382 1/20 0.33
▸ ALDH1A1 P00352 6/20 0.33
▸ MAPK1 P28482 1/20 0.31
▸ HPGD P15428 2/20 0.31
▸ GFER P55789 1/20 0.31
▸ HDAC4 P56524 1/20 0.31
▸ HDAC2 Q92769 1/20 0.31
▸ HDAC8 Q9BY41 1/20 0.31
▸ HDAC6 Q9UBN7 1/20 0.31
▸ BCL2L1 Q07817 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ CHRNB2 P17787 1/20 0.30
▸ CHRNB4 P30926 1/20 0.30
▸ CHRNA3 P32297 1/20 0.30

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
SCHEMBL4649406 0.75 MEN1 (0.50) MEN1KMT2ASMN1; SMN2ALDH1A1MAPK1
SCHEMBL5010686 0.72 HNF4A (0.48) HNF4AMEN1KMT2ASMN1; SMN2BCAT2
SCHEMBL5008857 0.72 HNF4A (0.48) HNF4AMEN1KMT2ASMN1; SMN2BCAT2
SCHEMBL4071673 0.71 HNF4A (0.47) HNF4AMEN1KMT2ASMN1; SMN2BCAT2
SCHEMBL5010723 0.69 HNF4A (0.53) HNF4AMEN1KMT2ASMN1; SMN2BCAT2
SCHEMBL2333980 0.69 ALDH1A1 (0.56) HNF4AMEN1KMT2ASMN1; SMN2BCAT2
SCHEMBL30618783 0.69 ALDH1A1 (0.56) HNF4AMEN1KMT2ASMN1; SMN2BCAT2
SCHEMBL11591876 0.69 HNF4A (0.46) HNF4AMEN1KMT2ASMN1; SMN2BCAT2
SCHEMBL9140507 0.69 RAB9A (0.41) MEN1KMT2ASMN1; SMN2ALDH1A1MAPK1
SCHEMBL3806469 0.68 HNF4A (0.53) HNF4AMEN1KMT2ASMN1; SMN2BCAT2

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
EP-1247142-A4 ELECTROPHOTOGRAPHIC PHOTOCONDUCTORS COMPRISING POLYARYL ETHERS LEXMARK INT INC (US) 2006-06-07 — — EP disclosed
EP-1247142-A1 ELECTROPHOTOGRAPHIC PHOTOCONDUCTORS COMPRISING POLYARYL ETHERS Lexmark International, Inc. (US) 2002-10-09 — — EP disclosed
US-6350553-B2 CHARGE TRANSFER LAYER; CHARGE GENERATING LAYER LEXMARK INTERNATIONAL, INC. 2002-02-26 — — US disclosed
US-20010023047-A1 Electrophotographic photoconductors comprising polyaryl ethers LEXMARK INTERNATIONAL, INC. 2001-09-20 — — US disclosed
WO-2001051995-A1 ELECTROPHOTOGRAPHIC PHOTOCONDUCTORS COMPRISING POLYARYL ETHERS LEXMARK INTERNATIONAL, INC. (US) 2001-07-19 — — WO disclosed
US-6232025-B1 CHARGE TRANSFER AND CHARGE GENERATING LAYERS LEXMARK INTERNATIONAL, INC. 2001-05-15 — — US disclosed
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