SCHEMBL9748600

SCHEMBL9748600

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

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
POLB P06746 1/20 0.38
NR4A1 P22736 1/20 0.38
NPC1 O15118 1/20 0.37
MEN1 O00255 2/20 0.37
PGR P06401 1/20 0.36
RAB9A P51151 2/20 0.36
MAPT P10636 1/20 0.36
SRD5A2 P31213 2/20 0.36
MAPK1 P28482 1/20 0.36
HPGD P15428 2/20 0.36
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL9748692 0.91 KMT2A (0.39) KMT2ANPC1MEN1PGRRAB9A
SCHEMBL9748589 0.88 KMT2A (0.39) KMT2APOLBNR4A1NPC1MEN1
SCHEMBL9748582 0.84 NR4A1 (0.44) KMT2ANR4A1MEN1PGRRAB9A
SCHEMBL9747406 0.75 MAPT (0.37) KMT2ANPC1MEN1RAB9AMAPT
SCHEMBL10949243 0.75 KMT2A (0.37) KMT2ANPC1MEN1MAPTHPGD
SCHEMBL9651529 0.73 PGR (0.45) KMT2APOLBNR4A1MEN1PGR
SCHEMBL10949720 0.70 ALDH1A1 (0.34) KMT2AMEN1RAB9AMAPTALDH1A1
SCHEMBL9747889 0.70 AKR1C3 (0.44) KMT2ANPC1MEN1RAB9AMAPT
SCHEMBL9747790 0.70 PGR (0.42) KMT2APOLBNPC1MEN1PGR
SCHEMBL10693566 0.67 SRD5A2 (0.41) KMT2ANR4A1NPC1MAPTSRD5A2

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