SCHEMBL1737741

SCHEMBL1737741

CCCn1c(C)c(C)c2cc(C(=O)N3CCNCC3)nc(N3CCc4ccccc4C3)c21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
RECQL P46063 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
TAAR1 Q96RJ0 1/20 0.38
LMNA P02545 4/20 0.37
ALDH1A1 P00352 5/20 0.37
CNR2 P34972 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
CHEK1 O14757 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
SPR P35270 1/20 0.35
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 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 SCHEMBL1736144 0.99 KMT2A (0.41) MEN1KMT2ARECQLSMN1; SMN2TAAR1
SCHEMBL1737533 0.92 MEN1 (0.44) MEN1KMT2ARECQLSMN1; SMN2TAAR1
SCHEMBL1736999 0.91 MEN1 (0.43) MEN1KMT2ARECQLSMN1; SMN2TAAR1
Hydrochloric Acid SCHEMBL1737659 0.91 MEN1 (0.43) MEN1KMT2ARECQLSMN1; SMN2TAAR1
Hydrochloric Acid SCHEMBL1736544 0.91 MEN1 (0.42) MEN1KMT2ARECQLSMN1; SMN2TAAR1
SCHEMBL1737912 0.90 LMNA (0.48) MEN1KMT2ARECQLSMN1; SMN2TAAR1
SCHEMBL1739484 0.89 MEN1 (0.40) MEN1KMT2ARECQLSMN1; SMN2TAAR1
SCHEMBL1737687 0.89 MEN1 (0.40) MEN1KMT2ARECQLSMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL1737060 0.89 LMNA (0.47) MEN1KMT2ARECQLSMN1; SMN2TAAR1
Hydrochloric Acid SCHEMBL1736726 0.88 KMT2A (0.39) MEN1KMT2ARECQLSMN1; SMN2TAAR1

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