SCHEMBL1739778

SCHEMBL1739778

CCCn1c(C)c(C)c2cc(OC(=O)O)nc(N3CCc4ccccc4C3)c21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GRIN2D O15399 3/20 0.39
GRIN3B O60391 3/20 0.39
GRIN1 Q05586 3/20 0.39
GRIN2A Q12879 3/20 0.39
GRIN2B Q13224 3/20 0.39
GRIN2C Q14957 3/20 0.39
GRIN3A Q8TCU5 3/20 0.39
MAPT P10636 4/20 0.38
HPGD P15428 4/20 0.38
KDM4E B2RXH2 3/20 0.38
PTK2B Q14289 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
ALDH1A1 P00352 6/20 0.37
HTT P42858 3/20 0.37
LMNA P02545 3/20 0.37
HSD17B10 Q99714 2/20 0.37
TP53 P04637 1/20 0.37
MAPK1 P28482 3/20 0.36

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
SCHEMBL1737274 0.93 MEN1 (0.46) MEN1KMT2AGRIN2DGRIN3BGRIN1
SCHEMBL1736555 0.91 HPGD (0.40) MEN1KMT2AGRIN2DGRIN3BGRIN1
SCHEMBL1738134 0.89 FABP4 (0.41) MEN1KMT2AGRIN2DGRIN3BGRIN1
SCHEMBL1738256 0.88 TAAR1 (0.39) MEN1KMT2AGRIN2DGRIN3BGRIN1
SCHEMBL1738151 0.88 MDM2 (0.39) MEN1KMT2AGRIN2DGRIN3BGRIN1
SCHEMBL1738556 0.88 MEN1 (0.39) MEN1KMT2AGRIN2DGRIN3BGRIN1
SCHEMBL1736978 0.86 MEN1 (0.42) MEN1KMT2AGRIN2DGRIN3BGRIN1
SCHEMBL1735927 0.85 USP2 (0.40) MEN1KMT2AALDH1A1LMNAHSD17B10
SCHEMBL1738167 0.85 PRMT5 (0.41) MEN1KMT2AGRIN2DGRIN3BGRIN1
SCHEMBL1738206 0.84 TP53 (0.42) MEN1KMT2AMAPTHPGDKDM4E

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