SCHEMBL1739484

SCHEMBL1739484

Cc1c(C)n(CC(C)C)c2c(N3CCc4ccccc4C3)nc(C(=O)N3CCNCC3)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
TAAR1 Q96RJ0 1/20 0.38
RECQL P46063 1/20 0.37
LMNA P02545 4/20 0.37
ALDH1A1 P00352 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
CRHBP P24387 1/20 0.37
HTT P42858 1/20 0.37
CRHR2 Q13324 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
RAB9A P51151 1/20 0.36
CHEK1 O14757 1/20 0.35
SPR P35270 3/20 0.34
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34
IDO1 P14902 1/20 0.34
BCL2 P10415 1/20 0.34
BAD Q92934 1/20 0.34
PLA2G1B P04054 1/20 0.34

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 SCHEMBL1736726 0.99 KMT2A (0.39) MEN1KMT2ATAAR1RECQLLMNA
SCHEMBL1737733 0.92 MEN1 (0.41) MEN1KMT2ATAAR1RECQLLMNA
SCHEMBL1737601 0.92 MEN1 (0.41) MEN1KMT2ATAAR1RECQLLMNA
Hydrochloric Acid SCHEMBL1735612 0.91 MEN1 (0.40) MEN1KMT2ATAAR1RECQLLMNA
Hydrochloric Acid SCHEMBL1737611 0.91 MEN1 (0.40) MEN1KMT2ATAAR1RECQLLMNA
SCHEMBL1737741 0.89 MEN1 (0.42) MEN1KMT2ATAAR1RECQLLMNA
Hydrochloric Acid SCHEMBL1736144 0.88 KMT2A (0.41) MEN1KMT2ATAAR1RECQLLMNA
SCHEMBL1737687 0.88 MEN1 (0.40) MEN1KMT2ARECQLLMNAALDH1A1
Hydrochloric Acid SCHEMBL1737203 0.88 MEN1 (0.39) MEN1KMT2ARECQLLMNAALDH1A1
SCHEMBL1738594 0.88 MEN1 (0.39) MEN1KMT2ARECQLLMNAALDH1A1

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