SCHEMBL1736727

SCHEMBL1736727

C=CCn1c(C)c(C)c2cc(C(=O)NC)nc(N3CCc4ccccc4C3)c21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.39
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
ALDH1A1 P00352 5/20 0.39
LMNA P02545 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NFKB1 P19838 1/20 0.38
NR2C2 P49116 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
TAB1 Q15750 1/20 0.38
SCN9A Q15858 1/20 0.38
CYP3A4 P08684 3/20 0.38
CYP2D6 P10635 3/20 0.38
CYP2C9 P11712 3/20 0.38
CYP2C19 P33261 3/20 0.38
CYP1A2 P05177 2/20 0.38
KDM4E B2RXH2 2/20 0.37
HPGD P15428 2/20 0.37

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 SCHEMBL1737059 0.99 MAPT (0.39) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL1736729 0.91 GRIN2D (0.41) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL1736195 0.91 MAPT (0.38) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL1736814 0.90 MEN1 (0.41) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL1737886 0.90 CHRM3 (0.40) MAPTMEN1KMT2AALDH1A1LMNA
Hydrochloric Acid SCHEMBL1737499 0.90 GRIN2D (0.41) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL1736041 0.89 MEN1 (0.40) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL1735889 0.88 MAPT (0.38) MAPTMEN1KMT2AALDH1A1LMNA
Hydrochloric Acid SCHEMBL1738054 0.88 MAPT (0.38) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL1737141 0.88 MAPK1 (0.40) MAPTMEN1KMT2AALDH1A1LMNA

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