SCHEMBL6164890

SCHEMBL6164890

NC(Cc1ccccc1)C(=O)Nc1nc2c(s1)CCCC2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.58
POLB P06746 2/20 0.58
LMNA P02545 9/20 0.56
SLC12A2 P55011 1/20 0.56
SLC12A5 Q9H2X9 1/20 0.56
NPC1 O15118 4/20 0.56
RAB9A P51151 4/20 0.56
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
MAPT P10636 4/20 0.54
TP53 P04637 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
NFKB1 P19838 2/20 0.53
NFKB2 Q00653 2/20 0.53
RELA Q04206 2/20 0.53
PKM P14618 1/20 0.53
SLC27A1 Q6PCB7 1/20 0.51
PTBP1 P26599 1/20 0.50
HTT P42858 1/20 0.50
HSD17B10 Q99714 1/20 0.50

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
SCHEMBL4949854 0.89 ALDH1A1 (0.56) ALDH1A1POLBLMNASLC12A2SLC12A5
SCHEMBL17916670 0.76 NPC1 (0.65) ALDH1A1POLBLMNASLC12A2SLC12A5
SCHEMBL6165194 0.76 CSNK1D (0.62) ALDH1A1POLBNPC1RAB9AMEN1
SCHEMBL3817488 0.71 L3MBTL1 (0.54) POLBTP53PKML3MBTL1
SCHEMBL27677789 0.71 L3MBTL1 (0.54) POLBTP53PKML3MBTL1
SCHEMBL10253050 0.71 NPC1 (0.53) ALDH1A1LMNANPC1RAB9AMEN1
SCHEMBL6162732 0.71 NPC1 (0.53) ALDH1A1LMNANPC1RAB9AMEN1
SCHEMBL11325003 0.71 MAPK1 (0.67) ALDH1A1POLBLMNANPC1RAB9A
SCHEMBL28767638 0.71 L3MBTL1 (0.54) POLBTP53PKML3MBTL1
SCHEMBL659214 0.71 TSHR (0.71) ALDH1A1POLBLMNANPC1RAB9A

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
EP-1134213-B1 Process for the preparation of substituted N-(indole-2-carbonyl)- glycinamides PFIZER (US) 2005-11-02 EP disclosed
EP-0832065-B1 SUBSTITUTED N-(INDOLE-2-CARBONYL)-GLYCINAMIDES AND DERIVATIVES AS GLYCOGEN PHOSPHORYLASE INHIBITORS PFIZER (US) 2001-10-10 EP disclosed
EP-1134213-A2 Process for the preparation of substituted N-(indole-2-carbonyl)- glycinamides PFIZER INC. (US) 2001-09-19 EP disclosed
US-6277877-B1 GLYCOGEN PHOSPHORYLASE INHIBITOR; ANTIDIABETIC AGENTS PFIZER, INC. 2001-08-21 US disclosed
US-6107329-A HYPOTENSIVE AGENTS; CARDIOVASCULAR DISORDERS PFIZER, INC. (US) 2000-08-22 US disclosed
WO-1996039384-A1 SUBSTITUTED N-(INDOLE-2-CARBONYL)-GLYCINAMIDES AND DERIVATIVES AS GLYCOGEN PHOSPHORYLASE INHIBITORS PFIZER, INC. (US) 1996-12-12 WO disclosed