SCHEMBL19445830

SCHEMBL19445830

COc1cc(OC)c(C(=O)NC2CCC(NC(=O)c3cc(C(=O)NC4CCNCC4)c(OCCCCCN)cc3OCCCCCN)CC2)cc1C

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 9/20 0.53
ALDH1A1 P00352 1/20 0.45
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
DRD4 P21917 1/20 0.41
HPGDS O60760 1/20 0.41
HTR3A P46098 1/20 0.39
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 1/20 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
SCHEMBL12515253 0.95 HTR4 (0.57) HTR4ALDH1A1KDM4EMEN1MAPT
SCHEMBL17949766 0.91 ALDH1A1 (0.57) HTR4ALDH1A1KDM4EMEN1MAPT
SCHEMBL19445803 0.86 ALDH1A1 (0.45) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL12515246 0.85 ALDH1A1 (0.51) HTR4ALDH1A1KDM4EMEN1MAPT
SCHEMBL12514989 0.84 ALDH1A1 (0.50) HTR4ALDH1A1KDM4EMEN1MAPT
SCHEMBL12518639 0.82 ALDH1A1 (0.48) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL12514986 0.82 ALDH1A1 (0.48) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL12514758 0.81 HTR4 (0.70) HTR4ALDH1A1KDM4EMEN1MAPT
SCHEMBL13973796 0.80 ALDH1A1 (0.46) HTR4ALDH1A1KDM4EMEN1MAPT
SCHEMBL10268073 0.80 ALDH1A1 (0.46) HTR4ALDH1A1KDM4EMEN1MAPT

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-2709619-B1 COMPOUNDS FOR USE IN TREATMENT OF MUCOSITIS CELLCEUTIX CORP (US) 2017-10-11 EP disclosed