SCHEMBL1739402

SCHEMBL1739402

C=CCn1c(C)c(CC#N)c2cc(C(=O)N3CCN(CC)CC3)nc(N3CCc4ccccc4C3)c21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.44
ALDH1A1 P00352 9/20 0.36
MEN1 O00255 5/20 0.36
KMT2A Q03164 5/20 0.36
SMN1; SMN2 Q16637 5/20 0.36
MAPT P10636 5/20 0.36
NPSR1 Q6W5P4 1/20 0.36
LMNA P02545 5/20 0.35
HTT P42858 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HSD11B1 P28845 1/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2D6 P10635 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
CYP1A2 P05177 1/20 0.34
GAA P10253 2/20 0.33
HPGD P15428 1/20 0.33
POLB P06746 1/20 0.33
HIF1A Q16665 1/20 0.33

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 SCHEMBL1737953 0.99 RECQL (0.44) RECQLALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL1740191 0.93 ALDH1A1 (0.37) RECQLALDH1A1MEN1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL1737692 0.93 ALDH1A1 (0.37) RECQLALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL1739676 0.91 RECQL (0.45) RECQLALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL1736886 0.91 ALDH1A1 (0.36) RECQLALDH1A1MEN1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL1737185 0.90 RECQL (0.44) RECQLALDH1A1MEN1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL1736140 0.90 ALDH1A1 (0.36) RECQLALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL1739328 0.89 RECQL (0.45) RECQLALDH1A1MEN1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL1737381 0.88 RECQL (0.44) RECQLALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL1738420 0.84 ALDH1A1 (0.39) RECQLALDH1A1MEN1KMT2ASMN1; 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