SCHEMBL1737733

SCHEMBL1737733

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TAAR1 Q96RJ0 1/20 0.39
PRMT5 O14744 5/20 0.39
WDR77 Q9BQA1 5/20 0.39
RECQL P46063 1/20 0.38
ALDH1A1 P00352 5/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
LMNA P02545 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
CRHBP P24387 1/20 0.38
HTT P42858 1/20 0.38
CRHR2 Q13324 1/20 0.38
HPGD P15428 1/20 0.37
GAA P10253 2/20 0.36
MAPT P10636 2/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 1/20 0.35
BCL2 P10415 1/20 0.35
BAD Q92934 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 SCHEMBL1737611 0.99 MEN1 (0.40) MEN1KMT2ATAAR1PRMT5WDR77
SCHEMBL1737601 0.93 MEN1 (0.41) MEN1KMT2ATAAR1PRMT5WDR77
Hydrochloric Acid SCHEMBL1735612 0.92 MEN1 (0.40) MEN1KMT2ATAAR1PRMT5WDR77
SCHEMBL1739484 0.92 MEN1 (0.40) MEN1KMT2ATAAR1PRMT5WDR77
Hydrochloric Acid SCHEMBL1736726 0.91 KMT2A (0.39) MEN1KMT2ATAAR1PRMT5WDR77
SCHEMBL1738730 0.90 MEN1 (0.48) MEN1KMT2APRMT5WDR77RECQL
Hydrochloric Acid SCHEMBL1736656 0.90 MEN1 (0.48) MEN1KMT2APRMT5WDR77RECQL
SCHEMBL1737695 0.89 MEN1 (0.49) MEN1KMT2ARECQLALDH1A1SMN1; SMN2
SCHEMBL1736999 0.89 MEN1 (0.43) MEN1KMT2ATAAR1RECQLALDH1A1
Hydrochloric Acid SCHEMBL1738353 0.89 MEN1 (0.48) MEN1KMT2ARECQLALDH1A1SMN1; SMN2

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