SCHEMBL9748692

SCHEMBL9748692

CC1C(=O)Nc2c(C(=O)c3ccc(Br)cc3)cc(Cl)cc21

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.39
MAPT P10636 3/20 0.37
MAPK1 P28482 2/20 0.37
HTT P42858 2/20 0.37
NPC1 O15118 1/20 0.37
MEN1 O00255 3/20 0.36
AKR1C3 P42330 1/20 0.35
PGR P06401 1/20 0.34
TP53 P04637 1/20 0.34
CCR9 P51686 1/20 0.34
LMNA P02545 1/20 0.33
RAB9A P51151 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL9748600 0.91 KMT2A (0.41) KMT2AMAPTMAPK1NPC1MEN1
SCHEMBL9747406 0.85 MAPT (0.37) KMT2AMAPTMAPK1HTTNPC1
SCHEMBL9747889 0.81 AKR1C3 (0.44) KMT2AMAPTMAPK1HTTNPC1
SCHEMBL9748589 0.80 KMT2A (0.39) KMT2AMAPTMAPK1HTTNPC1
SCHEMBL9748582 0.75 NR4A1 (0.44) KMT2AMAPTMAPK1MEN1PGR
SCHEMBL10949243 0.72 KMT2A (0.37) KMT2AMAPTHTTNPC1MEN1
SCHEMBL9651529 0.70 PGR (0.45) KMT2AMEN1PGRTP53KDM4E
SCHEMBL10949720 0.68 ALDH1A1 (0.34) KMT2AMAPTMEN1TP53LMNA
SCHEMBL28381581 0.68 AKR1C3 (0.41) KMT2AMAPTMAPK1HTTNPC1
SCHEMBL29362984 0.66 MAPT (0.50) KMT2AMAPTMAPK1HTTNPC1

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-0221753-B1 TRANSDERMAL TREATMENT FOR PAIN AND INFLAMMATION WITH 2-AMINO-3-AROYLBENZENEACETIC ACIDS, SALTS AND ESTERS A.H. ROBINS COMPANY, INCORPORATED (a Delaware corporation) (US) 1992-01-08 EP disclosed
US-4683242-A Transdermal treatment for pain and inflammation with 2-amino-3-aroylbenzeneacetic acids, salts and esters A. H. ROBINS COMPANY, INCORPORATED (US) 1987-07-28 US disclosed
EP-0221753-A2 Transdermal treatment for pain and inflammation with 2-amino-3-aroylbenzeneacetic acids, salts and esters A.H. ROBINS COMPANY, INCORPORATED (a Delaware corporation) (US) 1987-05-13 EP disclosed