SCHEMBL6575568

SCHEMBL6575568

C=C(CN1C(=O)c2ccccc2C1=O)C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.67
CA9 Q16790 1/20 0.67
ALDH1A1 P00352 5/20 0.62
KMT2A Q03164 5/20 0.56
MEN1 O00255 4/20 0.56
NPSR1 Q6W5P4 2/20 0.53
KDM4E B2RXH2 2/20 0.53
MAPT P10636 2/20 0.53
RAB9A P51151 2/20 0.53
GAA P10253 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
POLB P06746 1/20 0.51
GSK3B P49841 1/20 0.50
CYP1A2 P05177 1/20 0.49
AKR1B1 P15121 1/20 0.49
HPGD P15428 1/20 0.49
ALOX15 P16050 1/20 0.49
HSD17B10 Q99714 1/20 0.49
LMNA P02545 1/20 0.48
PKM P14618 1/20 0.48

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
SCHEMBL10818683 0.82 ALDH1A1 (0.69) CA12CA9ALDH1A1KMT2AMEN1
SCHEMBL2395293 0.82 POLB (0.55) CA12CA9ALDH1A1KMT2AMAPT
SCHEMBL16010335 0.81 CA12 (0.71) CA12CA9ALDH1A1KMT2AMEN1
SCHEMBL522649 0.80 CA12 (1.00) CA12CA9ALDH1A1KMT2AMEN1
SCHEMBL9617988 0.80 ALDH1A1 (0.71) CA12CA9ALDH1A1KMT2AMEN1
SCHEMBL29744481 0.80 CA12 (1.00) CA12CA9ALDH1A1KMT2AMEN1
SCHEMBL17560102 0.80 ALDH1A1 (0.60) CA12CA9ALDH1A1KMT2AMEN1
SCHEMBL2866490 0.80 ALDH1A1 (0.55) CA12CA9ALDH1A1KMT2AMEN1
Hydrochloric Acid SCHEMBL7085111 0.79 CA12 (0.96) CA12CA9ALDH1A1KMT2AMEN1
Phosphine SCHEMBL31113454 0.79 CA12 (0.96) CA12CA9ALDH1A1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0974607-B1 Coating compositions and inks DU PONT (US) 2004-09-29 EP claimed
EP-0974626-B1 Aqueous pigmented ink jet inks for printing on vinyls DU PONT (US) 2004-05-19 EP claimed
EP-0826751-B1 Aqueous dispersions containing graft copolymers as the dispersant DU PONT (US) 2004-04-28 EP claimed
EP-3189048-A1 AMINOINDANE-, AMINOTETRAHYDRONAPHTHALENE- AND AMINOBENZOCYCLOBUTANE-DERIVED PRMT5-INHIBITORS Ctxt Pty Ltd (AU) 2017-07-12 EP disclosed
WO-2016034671-A1 AMINOINDANE-, AMINOTETRAHYDRONAPHTHALENE- AND AMINOBENZOCYCLOBUTANE-DERIVED PRMT5-INHIBITORS CTXT PTY LTD (AU) 2016-03-10 WO disclosed
CN-101981032-A Substituted arylamide diaza  pyrimidinone derivatives for the treatment of neurodegenerative diseases caused by abnormal activity of GSK 3-beta SANOFI AVENTIS 2011-02-23 CN disclosed
US-5047259-A For powder coating; long chain alkyl acrylates; solventless paint systems HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1991-09-10 US disclosed