SCHEMBL1737463

SCHEMBL1737463

Cc1c(C)n(CC2CC2)c2c(N3CCc4ccccc4C3)nc(C(=O)N3CCCCC3)cc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 2/20 0.39
GAA P10253 1/20 0.39
MAPK1 P28482 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MDM2 Q00987 1/20 0.39
RECQL P46063 1/20 0.37
LMNA P02545 1/20 0.37
NAPEPLD Q6IQ20 1/20 0.36
HPGD P15428 1/20 0.36
PTGER4 P35408 1/20 0.36
CNR2 P34972 2/20 0.36
CHRM3 P20309 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 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 SCHEMBL1736198 0.99 MEN1 (0.40) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL1737933 0.93 MEN1 (0.40) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL1738936 0.92 MEN1 (0.40) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL1738594 0.92 MEN1 (0.39) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL1737850 0.92 MEN1 (0.39) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL1737053 0.92 LMNA (0.47) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL1737894 0.91 LMNA (0.46) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL1737374 0.91 KMT2A (0.39) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL1737033 0.91 MEN1 (0.39) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL1736849 0.91 RECQL (0.48) MEN1KMT2AALDH1A1MAPTGAA

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