SCHEMBL2452689

SCHEMBL2452689

CS(=O)(=O)N1CCc2nc(Nc3ccc(-c4cnco4)cc3)nc(N(CCO)c3ccccc3)c2C1.C[C@H](O)C(=O)N1CCc2nc(Nc3ccc(-c4cnco4)cc3)nc(N(CCO)c3ccccc3)c2C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 2/20 0.38
BRD4 O60885 1/20 0.38
PRLHR P49683 5/20 0.34
PDE10A Q9Y233 4/20 0.33
TRPV1 Q8NER1 1/20 0.33
JAK2 O60674 1/20 0.33
JAK3 P52333 1/20 0.33
FPR1 P21462 1/20 0.31
SYK P43405 1/20 0.31
POLB P06746 1/20 0.31
KMT2A Q03164 1/20 0.31
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
PKM P14618 1/20 0.31
RAB9A P51151 1/20 0.31
MTOR P42345 1/20 0.31
IMPDH2 P12268 1/20 0.30
PDE5A O76074 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
SCHEMBL2840310 0.94 CREBBP (0.41) CREBBPBRD4PRLHRPDE10ATRPV1
SCHEMBL2445562 0.94 CREBBP (0.41) CREBBPBRD4PRLHRPDE10ATRPV1
SCHEMBL2450465 0.92 PDE10A (0.37) CREBBPBRD4PDE10ATRPV1JAK2
SCHEMBL2444397 0.87 BRD4 (0.36) CREBBPBRD4PDE10ATRPV1JAK3
SCHEMBL2446711 0.86 CREBBP (0.42) CREBBPBRD4PRLHRPDE10ATRPV1
SCHEMBL2450149 0.86 CREBBP (0.43) CREBBPBRD4PRLHRPDE10ATRPV1
SCHEMBL2447141 0.85 CREBBP (0.41) CREBBPBRD4PRLHRPDE10ATRPV1
SCHEMBL2445064 0.85 CREBBP (0.42) CREBBPBRD4PRLHRPDE10AKDM4E
SCHEMBL2446851 0.85 CREBBP (0.42) CREBBPBRD4PRLHRPDE10ATRPV1
SCHEMBL2448754 0.85 CREBBP (0.42) CREBBPBRD4PRLHRPDE10ATRPV1

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-2367826-A1 MODULATORS OF AMYLOID BETA. AstraZeneca AB (SE) 2011-09-28 EP disclosed
WO-2010053438-A1 MODULATORS OF AMYLOID BETA. ASTRAZENECA AB (SE) 2010-05-14 WO disclosed