SCHEMBL18405111

SCHEMBL18405111

Fc1ccccc1CNCn1cccn1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
MPO P05164 3/20 0.43
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
MAPT P10636 1/20 0.42
PKM P14618 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 1/20 0.41
SLC6A4 P31645 1/20 0.41
GAA P10253 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TP53 P04637 1/20 0.39
ACHE P22303 4/20 0.39

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
SCHEMBL7465706 0.83 ALDH1A1 (0.56) KDM4EALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL30047375 0.83 ALDH1A1 (0.56) KDM4EALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL25376082 0.78 MEN1 (0.45) MPOMEN1KMT2AMAPTPKM
SCHEMBL6071681 0.74 MPO (0.60) KDM4EMPOALDH1A1MEN1KMT2A
SCHEMBL7771685 0.74 FDPS (0.41) MEN1KMT2AMAPTLMNAGAA
Benzylamine SCHEMBL25375530 0.72 LMNA (0.43) MEN1KMT2AMAPTLMNAGAA
SCHEMBL631227 0.71 MPO (0.58) MPOALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL28806287 0.70 BRD4 (0.43) ALDH1A1MEN1KMT2AL3MBTL1MAPT
SCHEMBL18899150 0.70 ALDH1A1 (0.64) KDM4EMPOALDH1A1MEN1KMT2A
SCHEMBL21674321 0.68 MPO (0.59) MPOMEN1KMT2ASMN1; SMN2LMNA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2588465-B1 SGC STIMULATORS IRONWOOD PHARMACEUTICALS INC (US) 2017-01-25 EP disclosed