SCHEMBL3136145

SCHEMBL3136145

O=CC(C(=O)CN1CCc2nc(Nc3ccc(-c4cnco4)cc3)nc(NCC3CCCO3)c2C1)(C(=O)CN1CCc2nc(Nc3ccc(-c4cnco4)cc3)nc(N(CCO)c3ccccc3)c2C1)N1CCc2nc(Nc3ccc(-c4cnco4)cc3)nc(Nc3cccc(CO)c3)c2C1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.32
ALOX15 P16050 2/20 0.32
MAPK1 P28482 2/20 0.32
RECQL P46063 2/20 0.32
TSHR P16473 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
HTT P42858 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
MAPT P10636 2/20 0.31
NPSR1 Q6W5P4 2/20 0.31
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
BLM P54132 1/20 0.31
TNK2 Q07912 1/20 0.31
PAK4 O96013 1/20 0.31
PAK1 Q13153 1/20 0.31
HPGD P15428 1/20 0.30

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
SCHEMBL3136142 0.83 IMPDH2 (0.32)
SCHEMBL2450616 0.75 BRD4 (0.35) LMNAKMT2AKDM4EALDH1A1POLB
SCHEMBL2451572 0.74 CREBBP (0.39) LMNAKDM4EALDH1A1MAPT
SCHEMBL2449466 0.74 CREBBP (0.38)
SCHEMBL2451712 0.74 TNK2 (0.42) LMNAALOX15MAPK1RECQLKMT2A
SCHEMBL2448242 0.73 TNK2 (0.43) LMNAALOX15MAPK1RECQLKDM4E
SCHEMBL2448252 0.73 TNK2 (0.43) LMNAALOX15MAPK1RECQLKDM4E
SCHEMBL2446856 0.72 BRD4 (0.36) LMNAKMT2AKDM4EALDH1A1POLB
SCHEMBL2447109 0.72 TNK2 (0.46) LMNAALOX15MAPK1RECQLTSHR
SCHEMBL2450149 0.72 CREBBP (0.43) LMNAKDM4EALDH1A1

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
WO-2010053438-A1 MODULATORS OF AMYLOID BETA. ASTRAZENECA AB (SE) 2010-05-14 WO disclosed