SCHEMBL6379635

SCHEMBL6379635

CCOC(=O)c1cn(C)c2ccccc12

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NR4A2 P43354 2/20 0.69
▸ LMNA P02545 3/20 0.59
▸ ALDH1A1 P00352 2/20 0.59
▸ MITF O75030 1/20 0.59
▸ MAPT P10636 1/20 0.59
▸ KMT2A Q03164 1/20 0.59
▸ NPSR1 Q6W5P4 1/20 0.59
▸ CNR1 P21554 1/20 0.58
▸ POLB P06746 1/20 0.56
▸ TSHR P16473 1/20 0.56
▸ HTT P42858 1/20 0.55
▸ CREBBP Q92793 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ RASGRP1 O95267 1/20 0.52
▸ PRKCA P17252 1/20 0.52
▸ PRKCE Q02156 1/20 0.52
▸ KDM4E B2RXH2 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
SCHEMBL15071685 0.90 ALDH1A1 (0.57) NR4A2LMNAALDH1A1MITFMAPT
SCHEMBL18858380 0.88 NR4A2 (0.55) NR4A2LMNAALDH1A1MITFMAPT
SCHEMBL28991624 0.88 NR4A2 (0.66) NR4A2LMNAALDH1A1MITFMAPT
SCHEMBL4685270 0.85 NR4A2 (0.57) NR4A2LMNAALDH1A1MITFMAPT
SCHEMBL2457012 0.83 KMT2A (0.64) NR4A2LMNAALDH1A1MAPTKMT2A
SCHEMBL27939135 0.83 TSHR (0.54) NR4A2LMNAALDH1A1MAPTKMT2A
SCHEMBL7215714 0.83 TSHR (0.54) NR4A2LMNAALDH1A1MAPTKMT2A
SCHEMBL2090257 0.83 NR4A2 (0.76) NR4A2LMNAALDH1A1NPSR1CNR1
SCHEMBL28025825 0.82 NR4A2 (0.55) NR4A2LMNAALDH1A1MITFMAPT
SCHEMBL1092934 0.82 NR4A2 (1.00) NR4A2LMNAALDH1A1MITFMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1225895-B1 FAB I INHIBITORS AFFINIUM PHARM INC (CA) 2005-05-04 — — EP disclosed
US-6762201-B1 SUCH AS N-((2-AMINO-5-(N-METHYL-N-((1-METHYLINDOL-2-YL) -METHYL)CARBAMOYL)PHENYL)METHYL)-N-METHYLACETAMIDE; BACTERIAL INFECTIONS AFFINIUM PHARMACEUTICALS, INC. (CA) 2004-07-13 — — US disclosed
EP-1225895-A4 FAB I INHIBITORS SMITHKLINE BEECHAM CORP (US) 2002-11-13 — — EP disclosed
EP-1225895-A1 FAB I INHIBITORS SmithKline Beecham Corporation (US) 2002-07-31 — — EP disclosed
WO-2001026654-A1 FAB I INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-04-19 — — WO disclosed
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