SCHEMBL1737014

SCHEMBL1737014

Cc1ccc(Cn2c(C)c(C)c3ccnc(COc4ccc(C)cc4C)c32)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.39
MCL1 Q07820 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
KMT2A Q03164 1/20 0.34
RELA Q04206 1/20 0.34
MAPT P10636 4/20 0.34
MAPK1 P28482 3/20 0.34
FFAR1 O14842 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 2/20 0.33
TSHR P16473 2/20 0.33
DYRK1A Q13627 1/20 0.33
FABP4 P15090 1/20 0.33
LMNA P02545 1/20 0.33

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 SCHEMBL1736511 0.99 L3MBTL1 (0.39) L3MBTL1MCL1MRGPRX4SMN1; SMN2NPC1
SCHEMBL1737046 0.95 L3MBTL1 (0.37) L3MBTL1MCL1KMT2AMAPTKDM4E
Hydrochloric Acid SCHEMBL1736306 0.94 L3MBTL1 (0.37) L3MBTL1MCL1KMT2AMAPTKDM4E
SCHEMBL1737385 0.94 FABP4 (0.41) L3MBTL1MRGPRX4SMN1; SMN2NPC1RAB9A
Hydrochloric Acid SCHEMBL1737640 0.93 FABP4 (0.41) L3MBTL1MRGPRX4SMN1; SMN2NPC1RAB9A
SCHEMBL1739157 0.87 L3MBTL1 (0.39) L3MBTL1MRGPRX4SMN1; SMN2NPC1RAB9A
Hydrochloric Acid SCHEMBL1737642 0.86 L3MBTL1 (0.38) L3MBTL1MRGPRX4SMN1; SMN2NPC1RAB9A
SCHEMBL1737098 0.86 TP53 (0.40) MRGPRX4KMT2AMAPTMAPK1HPGD
SCHEMBL1737412 0.85 L3MBTL1 (0.38) L3MBTL1MRGPRX4SMN1; SMN2NPC1RAB9A
Hydrochloric Acid SCHEMBL1736530 0.85 TP53 (0.40) MRGPRX4KMT2AMAPTMAPK1HPGD

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