SCHEMBL6689677

SCHEMBL6689677

O=C(O)Cn1c(-c2ccccc2)cc2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 1.00
ALDH1A1 P00352 4/20 0.72
KMT2A Q03164 2/20 0.71
NTRK1 P04629 2/20 0.57
NTRK3 Q16288 1/20 0.57
MTNR1A P48039 2/20 0.57
MTNR1B P49286 2/20 0.57
KDM4E B2RXH2 5/20 0.53
HSD17B10 Q99714 3/20 0.53
APEX1 P27695 1/20 0.51
HPGD P15428 4/20 0.51
CCR2 P41597 1/20 0.50
TSHR P16473 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
BACE1 P56817 1/20 0.48

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
SCHEMBL17674338 0.87 L3MBTL1 (0.77) L3MBTL1ALDH1A1KMT2ANTRK1NTRK3
SCHEMBL22769589 0.84 KMT2A (0.77) L3MBTL1ALDH1A1KMT2ANTRK1NTRK3
SCHEMBL29482304 0.84 KMT2A (0.77) L3MBTL1ALDH1A1KMT2ANTRK1NTRK3
SCHEMBL11691275 0.84 ALDH1A1 (1.00) L3MBTL1ALDH1A1KMT2ANTRK1NTRK3
SCHEMBL25143868 0.83 L3MBTL1 (0.71) L3MBTL1ALDH1A1KMT2ANTRK1NTRK3
SCHEMBL3844342 0.83 L3MBTL1 (0.71) L3MBTL1ALDH1A1KMT2ANTRK1NTRK3
SCHEMBL17680501 0.83 L3MBTL1 (0.71) L3MBTL1ALDH1A1KMT2ANTRK1KDM4E
SCHEMBL11557387 0.83 KMT2A (0.75) L3MBTL1ALDH1A1KMT2ANTRK1NTRK3
SCHEMBL4308750 0.80 L3MBTL1 (0.66) L3MBTL1ALDH1A1KMT2AKDM4EHSD17B10
SCHEMBL7463101 0.79 CCR2 (0.71) L3MBTL1ALDH1A1KMT2AKDM4EAPEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016054807-A1 TrkA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF MERCK SHARP & DOHME CORP. (US) 2016-04-14 WO disclosed
EP-1324985-A4 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2004-10-06 EP disclosed
EP-1324985-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2003-07-09 EP disclosed
WO-2002028831-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2002-04-11 WO disclosed
US-4522808-A Anti-sunburn compositions containing 2-phenyl-indole derivatives SOCIETE ANONYME DITE: L'OREAL (FR) 1985-06-11 US disclosed
US-4139634-A ANTIDEPRESSANTS, ANTIAGGRESSION AGENTS, ANESTHETICS LABAZ (FR) 1979-02-13 US disclosed