SCHEMBL1740191

SCHEMBL1740191

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.37
MEN1 O00255 5/20 0.37
KMT2A Q03164 5/20 0.37
SMN1; SMN2 Q16637 5/20 0.37
MAPT P10636 5/20 0.37
NPSR1 Q6W5P4 1/20 0.37
RECQL P46063 1/20 0.36
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
CYP1A2 P05177 1/20 0.35
LMNA P02545 3/20 0.35
HTT P42858 3/20 0.35
KDM4E B2RXH2 2/20 0.35
TSHR P16473 1/20 0.34
GAA P10253 1/20 0.33
HSD17B10 Q99714 2/20 0.33
CNR1 P21554 1/20 0.33
POLB P06746 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 SCHEMBL1737692 0.99 ALDH1A1 (0.37) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL1739402 0.93 RECQL (0.44) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL1737953 0.93 RECQL (0.44) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL1736886 0.93 ALDH1A1 (0.36) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL1736140 0.92 ALDH1A1 (0.36) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL1738420 0.91 ALDH1A1 (0.39) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL1736206 0.90 ALDH1A1 (0.38) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL1738021 0.89 RECQL (0.36) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL1736861 0.88 ALDH1A1 (0.40) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT
Iodide SCHEMBL1738222 0.88 ALDH1A1 (0.37) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT

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