SCHEMBL1738102

SCHEMBL1738102

C=CCn1c(C)c(C)c2cc(C(=O)N3CCCCC3)nc(N3CCc4ccccc4C3)c21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.40
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
SMN1; SMN2 Q16637 5/20 0.40
MAPT P10636 5/20 0.40
NPSR1 Q6W5P4 2/20 0.40
LMNA P02545 4/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP1A2 P05177 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HTT P42858 1/20 0.38
RECQL P46063 1/20 0.37
HPGD P15428 2/20 0.36
GAA P10253 3/20 0.35
MAPK1 P28482 1/20 0.35
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 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 SCHEMBL1737051 0.99 ALDH1A1 (0.40) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL1736861 0.93 ALDH1A1 (0.40) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL1738431 0.92 ALDH1A1 (0.40) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL1739809 0.92 LMNA (0.47) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL1737856 0.92 ALDH1A1 (0.39) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL1739051 0.92 MEN1 (0.40) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL1736897 0.91 LMNA (0.46) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL1738896 0.91 KMT2A (0.39) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL1736663 0.91 MEN1 (0.40) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL1738730 0.90 MEN1 (0.48) 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