SCHEMBL9689491

SCHEMBL9689491

CSc1ccc(C(=O)c2c(C)[nH]c3ccccc23)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.54
MAPT P10636 8/20 0.54
MEN1 O00255 6/20 0.54
LMNA P02545 4/20 0.54
NR4A2 P43354 1/20 0.54
PKM P14618 2/20 0.53
GAA P10253 2/20 0.53
ALDH1A1 P00352 7/20 0.52
RAB9A P51151 3/20 0.52
NPSR1 Q6W5P4 2/20 0.52
MITF O75030 1/20 0.52
HSD17B10 Q99714 2/20 0.51
CYP1A2 P05177 2/20 0.51
CYP3A4 P08684 2/20 0.51
CYP2C9 P11712 2/20 0.51
HPGD P15428 1/20 0.51
ALOX15 P16050 1/20 0.51
TSHR P16473 1/20 0.51
NFKB1 P19838 1/20 0.51
PDE4A P27815 1/20 0.51

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
SCHEMBL2971584 0.84 MAPT (0.59) KMT2AMAPTMEN1LMNANR4A2
SCHEMBL2355240 0.84 NR4A2 (0.63) KMT2AMAPTMEN1LMNANR4A2
SCHEMBL27854856 0.82 NR4A2 (0.69) KMT2AMAPTMEN1LMNANR4A2
SCHEMBL9691608 0.82 NR4A2 (0.56) KMT2AMAPTMEN1LMNANR4A2
SCHEMBL28553501 0.82 KMT2A (0.61) KMT2AMAPTMEN1LMNANR4A2
SCHEMBL9037841 0.79 NR4A2 (0.57) KMT2AMAPTMEN1LMNANR4A2
SCHEMBL8531445 0.79 PTGS1 (0.64) KMT2AMAPTLMNANR4A2ALDH1A1
SCHEMBL9691569 0.78 NR4A2 (0.52) KMT2AMAPTMEN1LMNANR4A2
SCHEMBL9691530 0.77 NR4A2 (0.51) KMT2AMAPTMEN1LMNANR4A2
SCHEMBL9690594 0.77 MAPT (0.52) KMT2AMAPTMEN1LMNANR4A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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