SCHEMBL1737597

SCHEMBL1737597

Cc1c(C)n(Cc2cccc(Cl)c2)c2c(N3CCc4ccccc4C3)nc(C(=O)N3CCCCC3)cc12

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.41
MAPT P10636 3/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 2/20 0.41
GAA P10253 1/20 0.41
ALOX15 P16050 1/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
POLB P06746 4/20 0.40
LMNA P02545 3/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MAOB P27338 1/20 0.37
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
FABP4 P15090 1/20 0.36
THRB P10828 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 SCHEMBL1738713 0.99 TP53 (0.41) TP53MAPTALDH1A1HPGDGAA
SCHEMBL1739082 0.94 ALDH1A1 (0.43) TP53MAPTALDH1A1HPGDGAA
SCHEMBL1739005 0.94 ALDH1A1 (0.43) TP53MAPTALDH1A1HPGDALOX15
Hydrochloric Acid SCHEMBL1736933 0.93 ALDH1A1 (0.42) TP53MAPTALDH1A1HPGDGAA
Hydrochloric Acid SCHEMBL1737348 0.93 ALDH1A1 (0.42) TP53MAPTALDH1A1HPGDALOX15
SCHEMBL1737764 0.92 GAA (0.41) TP53ALDH1A1HPGDGAAMEN1
Hydrochloric Acid SCHEMBL1735900 0.91 GAA (0.40) TP53ALDH1A1HPGDGAAMEN1
SCHEMBL1737529 0.91 TP53 (0.38) TP53ALDH1A1HPGDMEN1KMT2A
Hydrochloric Acid SCHEMBL1736923 0.90 TP53 (0.37) TP53ALDH1A1HPGDMEN1KMT2A
SCHEMBL1737224 0.90 TP53 (0.44) TP53MAPTALDH1A1HPGDGAA

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