SCHEMBL9747406

SCHEMBL9747406

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.37
MAPK1 P28482 2/20 0.37
NPC1 O15118 2/20 0.37
HTT P42858 1/20 0.37
AKR1C3 P42330 1/20 0.35
LSS P48449 1/20 0.34
LMNA P02545 3/20 0.34
CCNB2 O95067 1/20 0.34
CDK1 P06493 1/20 0.34
CCNB1 P14635 1/20 0.34
CCNB3 Q8WWL7 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 4/20 0.33
MEN1 O00255 3/20 0.33
RAB9A P51151 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
HPGD P15428 1/20 0.33
CASP3 P42574 1/20 0.32
SENP8 Q96LD8 1/20 0.32

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
SCHEMBL9748589 0.88 KMT2A (0.39) MAPTMAPK1NPC1HTTLMNA
SCHEMBL9748692 0.85 KMT2A (0.39) MAPTMAPK1NPC1HTTAKR1C3
SCHEMBL9747889 0.81 AKR1C3 (0.44) MAPTMAPK1NPC1HTTAKR1C3
SCHEMBL9748600 0.75 KMT2A (0.41) MAPTMAPK1NPC1ALDH1A1KMT2A
SCHEMBL10949720 0.75 ALDH1A1 (0.34) MAPTLMNAALDH1A1KMT2AMEN1
SCHEMBL10951474 0.75 ALDH1A1 (0.34) MAPTLMNAALDH1A1KMT2AMEN1
SCHEMBL9748582 0.68 NR4A1 (0.44) MAPTMAPK1LMNAKMT2AMEN1
SCHEMBL28381581 0.68 AKR1C3 (0.41) MAPTMAPK1NPC1HTTAKR1C3
SCHEMBL10950057 0.66 ALDH1A1 (0.36) MAPTHTTLMNAALDH1A1KMT2A
SCHEMBL10949243 0.65 KMT2A (0.37) MAPTNPC1HTTLMNAALDH1A1

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