SCHEMBL2446856

SCHEMBL2446856

O=CCCN1CCc2nc(Nc3ccc(-c4cnco4)cc3)nc(N(CCO)c3ccccc3)c2C1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.36
CREBBP Q92793 1/20 0.36
IMPDH2 P12268 6/20 0.34
TRPV1 Q8NER1 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
PKM P14618 1/20 0.33
SYK P43405 1/20 0.32
ROCK2 O75116 2/20 0.32
PORCN Q9H237 1/20 0.31
JAK3 P52333 1/20 0.31
POLB P06746 1/20 0.31
KMT2A Q03164 1/20 0.31
CASR P41180 1/20 0.31

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
SCHEMBL2450616 0.93 BRD4 (0.35) BRD4CREBBPIMPDH2TRPV1NPC1
SCHEMBL2447398 0.91 BRD4 (0.37) BRD4CREBBPIMPDH2TRPV1NPC1
SCHEMBL2446785 0.90 CREBBP (0.37) BRD4CREBBPIMPDH2TRPV1LMNA
SCHEMBL2445566 0.89 TRPV1 (0.34) BRD4CREBBPIMPDH2TRPV1NPC1
SCHEMBL2451572 0.88 CREBBP (0.39) BRD4CREBBPIMPDH2TRPV1NPC1
SCHEMBL2450149 0.88 CREBBP (0.43) BRD4CREBBPIMPDH2TRPV1NPC1
SCHEMBL2449611 0.87 CREBBP (0.39) BRD4CREBBPIMPDH2TRPV1NPC1
SCHEMBL2448758 0.86 BRD4 (0.34) BRD4CREBBPIMPDH2TRPV1NPC1
SCHEMBL2448754 0.85 CREBBP (0.42) BRD4CREBBPIMPDH2TRPV1NPC1
SCHEMBL2450613 0.85 CREBBP (0.51) BRD4CREBBPIMPDH2TRPV1NPC1

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