SCHEMBL1739447

SCHEMBL1739447

C=CCn1c(C)c(C)c2cc(C(=O)NCc3cccc(Cl)c3)nc(N3CCc4ccccc4C3)c21

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
TP53 P04637 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
HPGD P15428 1/20 0.39
HCRTR1 O43613 1/20 0.39
PPARG P37231 1/20 0.38
MAPT P10636 3/20 0.37
THRB P10828 1/20 0.37
ADORA1 P30542 3/20 0.37
ADORA2A P29274 2/20 0.37
MMP13 P45452 1/20 0.37
LMNA P02545 2/20 0.37
MAPK1 P28482 1/20 0.36
CNR2 P34972 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
ADORA2B P29275 1/20 0.35

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 SCHEMBL1738710 0.99 MEN1 (0.42) MEN1KMT2ATP53SMN1; SMN2HPGD
SCHEMBL1738747 0.91 MEN1 (0.45) MEN1KMT2ATP53HPGDHCRTR1
Hydrochloric Acid SCHEMBL1736694 0.90 MEN1 (0.44) MEN1KMT2ATP53HPGDHCRTR1
SCHEMBL1737141 0.89 MAPK1 (0.40) MEN1KMT2ATP53SMN1; SMN2HPGD
Hydrochloric Acid SCHEMBL1737063 0.89 MAPK1 (0.40) MEN1KMT2ATP53SMN1; SMN2HPGD
SCHEMBL1736750 0.86 ALDH1A1 (0.48) MEN1KMT2ATP53SMN1; SMN2HPGD
SCHEMBL1736729 0.86 GRIN2D (0.41) MEN1KMT2ATP53SMN1; SMN2HPGD
Hydrochloric Acid SCHEMBL1736151 0.86 ALDH1A1 (0.47) MEN1KMT2ATP53SMN1; SMN2HPGD
Hydrochloric Acid SCHEMBL1737499 0.85 GRIN2D (0.41) MEN1KMT2ATP53SMN1; SMN2HPGD
SCHEMBL1736727 0.85 MAPT (0.39) MEN1KMT2ASMN1; SMN2HPGDMAPT

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