SCHEMBL13439731

SCHEMBL13439731

CCOCCN(C)CCOc1cc(C(=O)Nc2cccc(N(C)C)c2)nc(N2CCOCC2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 2/20 0.46
EPHX2 P34913 1/20 0.44
BRAF P15056 2/20 0.43
MAPT P10636 3/20 0.43
RAB9A P51151 3/20 0.43
HTT P42858 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
RECQL P46063 1/20 0.43
CASR P41180 1/20 0.41
BTK Q06187 1/20 0.40
RAF1 P04049 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TP53 P04637 1/20 0.38
PKM P14618 1/20 0.38
MAPK1 P28482 1/20 0.38
NPC1 O15118 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
NAPEPLD Q6IQ20 1/20 0.38

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
SCHEMBL11929796 0.91 MEN1 (0.43) AKT1MAPTRAB9ASMN1; SMN2MEN1
SCHEMBL11929768 0.91 MAPT (0.40) AKT1BRAFMAPTRAB9AHTT
SCHEMBL13813998 0.91 LMNA (0.47) AKT1BRAFMAPTRAB9AHTT
SCHEMBL11926394 0.88 AKT1 (0.50) AKT1EPHX2BRAFMAPTRAB9A
SCHEMBL429028 0.86 EPHX2 (0.56) AKT1EPHX2BRAFMAPTRAB9A
SCHEMBL11929767 0.85 MAPK14 (0.43) BRAFRAF1HTR1BMAPK14
SCHEMBL11929361 0.85 RAF1 (0.40) BRAFMAPTHTTRAF1MEN1
SCHEMBL13439833 0.81 MAPT (0.35) MAPTHTTSMN1; SMN2MEN1KMT2A
SCHEMBL11926397 0.81 EPHX2 (0.47) AKT1EPHX2BRAFCASRTP53
SCHEMBL11926393 0.80 EPHX2 (0.47) AKT1EPHX2BRAFCASR

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
US-7696202-B2 IL-12 modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2010-04-13 US disclosed