SCHEMBL6162732

SCHEMBL6162732

Cc1cnc(NC(=O)C(N)Cc2ccccc2)s1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.53
RAB9A P51151 5/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
TP53 P04637 2/20 0.53
HTT P42858 2/20 0.52
PKM P14618 3/20 0.51
PIK3CD O00329 1/20 0.49
PIK3CA P42336 1/20 0.49
PIK3CB P42338 1/20 0.49
PIK3CG P48736 1/20 0.49
MAPK1 P28482 2/20 0.49
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49
KMT2A Q03164 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
HSD17B10 Q99714 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
KDM4E B2RXH2 1/20 0.49
LMNA P02545 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
SCHEMBL10253050 1.00 NPC1 (0.53) NPC1RAB9ASMN1; SMN2TP53HTT
SCHEMBL10287245 0.82 ALDH1A1 (0.47) SMN1; SMN2TP53HTTPKMPIK3CD
SCHEMBL881350 0.81 MEN1 (0.63) NPC1RAB9ASMN1; SMN2HTTPKM
SCHEMBL20131153 0.80 CTSL (0.54) NPC1RAB9ASMN1; SMN2PKMKMT2A
Hydrochloric Acid SCHEMBL1392255 0.80 MEN1 (0.61) NPC1RAB9ASMN1; SMN2HTTPKM
Hydrochloric Acid SCHEMBL1392257 0.80 MEN1 (0.61) NPC1RAB9ASMN1; SMN2HTTPKM
SCHEMBL5875694 0.79 FFAR2 (0.48) NPC1RAB9ASMN1; SMN2TP53HTT
SCHEMBL11325003 0.77 MAPK1 (0.67) NPC1RAB9ASMN1; SMN2TP53HTT
Bromide SCHEMBL11323260 0.76 MAPK1 (0.66) NPC1RAB9ASMN1; SMN2TP53HTT
SCHEMBL14394637 0.76 FFAR2 (0.57) NPC1RAB9ASMN1; SMN2TP53HTT

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