SCHEMBL1737862

SCHEMBL1737862

Cc1c(CC#N)c2cc(C(=O)N3CCNCC3)nc(N3CCc4ccccc4C3)c2n1Cc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.34
LMNA P02545 2/20 0.34
CHEK1 O14757 1/20 0.34
CNR1 P21554 1/20 0.34
ALDH1A1 P00352 4/20 0.33
DPP4 P27487 3/20 0.33
TSHR P16473 2/20 0.33
SOS1 Q07889 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HTR6 P50406 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP2C19 P33261 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 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 SCHEMBL1738926 0.99 RECQL (0.34) RECQLLMNACHEK1CNR1ALDH1A1
SCHEMBL1738021 0.92 RECQL (0.36) RECQLLMNACNR1ALDH1A1TSHR
Hydrochloric Acid SCHEMBL1738912 0.92 RECQL (0.36) RECQLLMNACNR1ALDH1A1TSHR
SCHEMBL1738340 0.91 CHEK1 (0.35) RECQLLMNACHEK1ALDH1A1TSHR
SCHEMBL1739328 0.90 RECQL (0.45) RECQLLMNAALDH1A1TSHRSMN1; SMN2
Hydrochloric Acid SCHEMBL1736611 0.90 CHEK1 (0.35) RECQLLMNACHEK1ALDH1A1TSHR
Hydrochloric Acid SCHEMBL1737381 0.90 RECQL (0.44) RECQLLMNAALDH1A1TSHRSMN1; SMN2
SCHEMBL1736886 0.89 ALDH1A1 (0.36) RECQLLMNACHEK1CNR1ALDH1A1
SCHEMBL1737687 0.88 MEN1 (0.40) RECQLLMNACHEK1ALDH1A1TSHR
Hydrochloric Acid SCHEMBL1736140 0.88 ALDH1A1 (0.36) RECQLLMNACHEK1CNR1ALDH1A1

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