SCHEMBL1737398

SCHEMBL1737398

COCCn1c(C)c(C)c2ccnc(COc3ccccc3Cl)c21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.37
RAB9A P51151 6/20 0.37
TSHR P16473 5/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
LMNA P02545 1/20 0.37
MAPK1 P28482 2/20 0.36
ALDH1A1 P00352 1/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KMT2A Q03164 4/20 0.36
TP53 P04637 3/20 0.36
KDM4E B2RXH2 2/20 0.36
HTT P42858 2/20 0.36
MEN1 O00255 1/20 0.36
NR2F2 P24468 1/20 0.36
HPGD P15428 3/20 0.35
MAPT P10636 5/20 0.35
L3MBTL1 Q9Y468 4/20 0.34
FFAR1 O14842 1/20 0.34
CDC7 O00311 1/20 0.34

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
Hydrochloric Acid SCHEMBL1738394 0.99 NPC1 (0.37) NPC1RAB9ATSHRSMN1; SMN2LMNA
SCHEMBL1737420 0.89 KDM4E (0.37) NPC1RAB9ATSHRSMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL1736963 0.88 KDM4E (0.37) NPC1RAB9ATSHRSMN1; SMN2LMNA
SCHEMBL1737488 0.86 KDM4E (0.39) NPC1RAB9ATSHRSMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL1738061 0.85 KDM4E (0.38) NPC1RAB9ATSHRSMN1; SMN2MAPK1
SCHEMBL1737165 0.84 FABP4 (0.44) NPC1RAB9ATSHRSMN1; SMN2LMNA
SCHEMBL1739165 0.84 KDM4E (0.40) NPC1RAB9ATSHRSMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL1737555 0.83 FABP4 (0.43) NPC1RAB9ATSHRSMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL1737747 0.83 KDM4E (0.39) NPC1RAB9ATSHRSMN1; SMN2LMNA
SCHEMBL1737569 0.83 PKM (0.39) NPC1RAB9ASMN1; SMN2LMNAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1784404-B1 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORP (KR) 2011-11-16 EP claimed
US-20110263306-A1 COMPUTER SYSTEM AND PROGRAM NAMCO BANDAI GAMES INC. (JP) 2011-10-27 US claimed