SCHEMBL2447895

SCHEMBL2447895

COC(C=O)N1CCc2nc(Nc3ccc(-c4cnco4)cc3)nc(N(CCO)c3ccccc3)c2C1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 16/20 0.37
BRD4 O60885 1/20 0.34
CREBBP Q92793 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
PORCN Q9H237 1/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
PKM P14618 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL2448758 0.91 BRD4 (0.34) IMPDH2BRD4CREBBPTRPV1PORCN
SCHEMBL2445064 0.86 CREBBP (0.42) IMPDH2BRD4CREBBPPORCNKDM4E
SCHEMBL2449611 0.85 CREBBP (0.39) IMPDH2BRD4CREBBPTRPV1PORCN
SCHEMBL2445566 0.85 TRPV1 (0.34) IMPDH2BRD4CREBBPTRPV1PORCN
SCHEMBL2450616 0.85 BRD4 (0.35) IMPDH2BRD4CREBBPTRPV1PORCN
SCHEMBL2447141 0.85 CREBBP (0.41) IMPDH2BRD4CREBBPTRPV1PORCN
SCHEMBL2450613 0.84 CREBBP (0.51) IMPDH2BRD4CREBBPTRPV1KDM4E
SCHEMBL2450149 0.84 CREBBP (0.43) IMPDH2BRD4CREBBPTRPV1PORCN
SCHEMBL2446856 0.84 BRD4 (0.36) IMPDH2BRD4CREBBPTRPV1PORCN
SCHEMBL2444397 0.84 BRD4 (0.36) IMPDH2BRD4CREBBPTRPV1PORCN

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