SCHEMBL9747790

SCHEMBL9747790

CC1C(=O)Nc2c(C(=O)c3ccc(Cl)cc3Cl)cccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPT P10636 4/20 0.39
RAB9A P51151 2/20 0.39
SRD5A2 P31213 1/20 0.39
RECQL P46063 1/20 0.39
TSHR P16473 1/20 0.39
CASP1 P29466 1/20 0.39
GAA P10253 1/20 0.39
CACNB4 O00305 1/20 0.38
CACNA1A O00555 1/20 0.38
CACNA1G O43497 1/20 0.38
CACNG3 O60359 1/20 0.38
CACNA1F O60840 1/20 0.38
CACNA1H O95180 1/20 0.38
CACNB3 P54284 1/20 0.38
CACNA2D1 P54289 1/20 0.38
CACNG7 P62955 1/20 0.38
CACNA1B Q00975 1/20 0.38

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
SCHEMBL9748582 0.83 NR4A1 (0.44) PGRMAPTRAB9ASRD5A2BRD4
SCHEMBL24112226 0.73 PGR (0.49) PGRSMN1; SMN2MAPTTSHRCACNB4
SCHEMBL24112933 0.73 PGR (0.49) PGRSMN1; SMN2MAPTTSHRCACNB4
SCHEMBL9747889 0.73 AKR1C3 (0.44) MAPTRAB9ANPC1HTTMEN1
SCHEMBL195020 0.71 SMN1; SMN2 (0.71) SMN1; SMN2HSD17B10MAPTRAB9ASRD5A2
SCHEMBL30185351 0.71 SMN1; SMN2 (0.71) SMN1; SMN2HSD17B10MAPTRAB9ASRD5A2
SCHEMBL9748600 0.70 KMT2A (0.41) PGRMAPTRAB9ASRD5A2NPC1
SCHEMBL29829303 0.70 RECQL (0.71) SMN1; SMN2HSD17B10MAPTRAB9ASRD5A2
SCHEMBL5080596 0.70 RECQL (0.71) SMN1; SMN2HSD17B10MAPTRAB9ASRD5A2
SCHEMBL9748589 0.68 KMT2A (0.39) PGRMAPTRAB9ASRD5A2NPC1

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