SCHEMBL3661983

SCHEMBL3661983

Nc1ccc(Cc2ccc(NC(=O)CSc3ccc(O)cc3)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.56
POLB P06746 4/20 0.56
MEN1 O00255 4/20 0.56
USP2 O75604 2/20 0.56
PPARG P37231 1/20 0.55
NCOA2 Q15596 1/20 0.55
NCOA1 Q15788 1/20 0.55
NCOA3 Q9Y6Q9 1/20 0.55
RAB9A P51151 4/20 0.50
MAPT P10636 5/20 0.49
ALDH1A1 P00352 5/20 0.49
NPC1 O15118 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
TP53 P04637 1/20 0.47
HTT P42858 3/20 0.47
HSD17B10 Q99714 2/20 0.45
LMNA P02545 1/20 0.45
HPGD P15428 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CYP2C9 P11712 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
SCHEMBL930576 0.85 KMT2A (0.71) KMT2APOLBMEN1USP2PPARG
SCHEMBL2339823 0.78 KMT2A (0.74) KMT2APOLBMEN1USP2PPARG
SCHEMBL4451257 0.76 GAA (0.59) KMT2AMEN1RAB9AMAPTSMN1; SMN2
SCHEMBL5962552 0.73 CA12 (0.54) KMT2APOLBMEN1RAB9AMAPT
SCHEMBL15206242 0.73 USP2 (0.49) POLBUSP2RAB9AALDH1A1NPC1
SCHEMBL62245 0.72 ALDH1A1 (0.74) KMT2AALDH1A1HSD17B10L3MBTL1CYP2C19
SCHEMBL3627574 0.71 KMT2A (0.68) KMT2APOLBMEN1USP2PPARG
SCHEMBL5222352 0.71 KMT2A (0.64) KMT2APOLBMEN1USP2PPARG
SCHEMBL4683087 0.71 MAPT (0.55) KMT2APOLBMEN1RAB9AMAPT
SCHEMBL5656305 0.71 RAB9A (0.49) KMT2APOLBMEN1USP2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2161255-A1 Phenolic Compound and Recording Material Using the Same NIPPON SODA CO., LTD. (JP) 2010-03-10 EP disclosed
US-7169737-B2 For use in recording materials using a color developing dye, such as thermal sensitive recording material and pressure sensitive copying material, storage stability NIPPON SODA CO., LTD. (JP) 2007-01-30 US disclosed
US-20050096222-A1 For use in recording materials using a color developing dye, such as thermal sensitive recording material and pressure sensitive copying material, storage stability NIPPON SODA CO., LTD. (JP) 2005-05-05 US disclosed