SCHEMBL8534628

SCHEMBL8534628

COc1ccc(C(=O)c2c(C)[nH]c3ccc(F)cc23)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.59
PTGS2 P35354 2/20 0.59
ALDH1A1 P00352 3/20 0.52
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
KDM4E B2RXH2 3/20 0.51
TUBB1 Q9H4B7 2/20 0.51
HPGD P15428 1/20 0.51
RAB9A P51151 1/20 0.50
TUBB4A P04350 1/20 0.49
TUBB P07437 1/20 0.49
TUBA3C P0DPH7 1/20 0.49
TUBA1B P68363 1/20 0.49
TUBA4A P68366 1/20 0.49
TUBB4B P68371 1/20 0.49
TUBB3 Q13509 1/20 0.49
TUBB2A Q13885 1/20 0.49
TUBB8 Q3ZCM7 1/20 0.49
TUBA3E Q6PEY2 1/20 0.49
TUBA1A Q71U36 1/20 0.49

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
SCHEMBL28524519 0.86 PTGS1 (0.62) PTGS1PTGS2ALDH1A1MEN1KMT2A
SCHEMBL2974886 0.84 ALDH1A1 (0.61) PTGS1PTGS2ALDH1A1MEN1KMT2A
SCHEMBL25260242 0.82 ALDH1A1 (0.58) PTGS1PTGS2ALDH1A1MEN1KMT2A
SCHEMBL8531445 0.81 PTGS1 (0.64) PTGS1PTGS2ALDH1A1KMT2ATUBB1
SCHEMBL5236009 0.79 NR4A2 (0.63) ALDH1A1MEN1KMT2AKDM4ETUBB1
SCHEMBL5857601 0.77 KEAP1 (0.50) PTGS1PTGS2ALDH1A1KDM4ETUBB1
SCHEMBL21809222 0.77 KEAP1 (0.50) PTGS1PTGS2ALDH1A1KDM4ETUBB1
SCHEMBL14555878 0.77 NR4A2 (0.46) PTGS1PTGS2ALDH1A1MEN1KMT2A
SCHEMBL4140165 0.76 PTGS1 (0.56) PTGS1PTGS2ALDH1A1MEN1KMT2A
SCHEMBL13581347 0.76 PTGS1 (0.65) PTGS1PTGS2ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5817651-A ANALGESICS, RHEUMATIC DISEASES, ANTIINFLAMMATORY AGENTS SANOFI (FR) 1998-10-06 US disclosed
US-5607933-A METHODS FOR TREATMENT OF GLAUCOMA AND FOR RELIEF OF PAIN AND RHEUMATIC AND INFLAMMATORY CONDITIONS BY ADMINISTERING THE INDOLES; N-HETERYL IS 2-PIPERAZINYL STERLING WINTHROP INC. (US) 1997-03-04 US disclosed
EP-0445781-B1 3-Arylcarbonyl-1-aminoalkyl-1H-indole containing antiglaucoma compositions STERLING WINTHROP INC (US) 1996-01-31 EP disclosed
US-5324737-A Analgesics, antirheumatic and antiinflammatory agents, glaucoma STERLING WINTHROP INC. (US) 1994-06-28 US disclosed
EP-0171037-B1 3-CARBONYL-1-AMINOALKYL-1H-INDOLES USEFUL AS ANALGESICS AND PREPARATION THEREOF STERLING WINTHROP INC. (US) 1992-06-17 EP disclosed
US-5068234-A Analgesics, rheumatic diseases, antiinflammatory agents or antiglaucoma STERLING DRUG INC. (US) 1991-11-26 US disclosed
EP-0445781-A1 3-Arylcarbonyl-1-aminoalkyl-1H-indole containing antiglaucoma compositions STERLING WINTHROP INC. (US) 1991-09-11 EP disclosed
EP-0444451-A2 3-Arylcarbonyl-1H-indoles useful as therapeutic agents STERLING WINTHROP INC. (US) 1991-09-04 EP disclosed
US-5013837-A Treatment of glaucoma STERLING DRUG INC. (US) 1991-05-07 US disclosed
US-5013732-A Analgesics STERLING DRUG INC. (US) 1991-05-07 US disclosed
US-4978664-A Analgesic, anti-rheumatic, and anti-inflammatory agent STERLING DRUG INC. (US) 1990-12-18 US disclosed
US-4973587-A 3-arylcarbonyl-1-aminoalkyl-1H-indole-containing antiglaucoma method STERLING DRUG INC. (US) 1990-11-27 US disclosed
US-4885295-A ANALGESICS; ANTIINFLAMMATORY AGENTS; RHEUMATIC DISEASES STERLING DRUG INC. (US) 1989-12-05 US disclosed
US-RE32761-E ANALGESICS, ANTIRHEUMATIC AND ANTIINFLAMMATORY AGENT STERLING DRUG INC. (US) 1988-10-04 US disclosed
US-4634776-A ANALGESIC, ANTIRHEUMATIC, ANTIINFLAMMATORY STERLING DRUG, INC. (US) 1987-01-06 US disclosed
US-4581354-A ANALGESICS;ANTI-RHEUMATIC AND ANTI-INFLAMMATORY AGENTS STERLING DRUG INC. (US) 1986-04-08 US disclosed
EP-0171037-A2 3-Carbonyl-1-aminoalkyl-1H-indoles useful as analgesics and preparation thereof STERLING WINTHROP INC. (US) 1986-02-12 EP disclosed