SCHEMBL15964137

SCHEMBL15964137

[2H]C([2H])(C)c1cnc(-c2ccccc2)cc1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.51
RAB9A P51151 3/20 0.42
NPC1 O15118 3/20 0.42
PDGFRB P09619 1/20 0.42
KDR P35968 1/20 0.42
FLT3 P36888 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP11B1 P15538 2/20 0.41
CYP11B2 P19099 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.41
CYP3A4 P08684 1/20 0.39
IDO1 P14902 2/20 0.37
TDO2 P48775 2/20 0.37
GSK3A P49840 1/20 0.36

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
SCHEMBL18729640 0.86 LDHA (0.58) LDHARAB9ANPC1PDGFRBKDR
SCHEMBL15964169 0.80 LDHA (0.41) LDHARAB9ANPC1PDGFRBKDR
SCHEMBL18730751 0.79 LDHA (0.50) LDHARAB9ANPC1PDGFRBKDR
SCHEMBL18730297 0.79 LDHA (0.50) LDHARAB9ANPC1PDGFRBKDR
SCHEMBL2481915 0.76 LDHA (0.62) LDHARAB9ANPC1PDGFRBKDR
SCHEMBL29507311 0.76 LDHA (0.62) LDHARAB9ANPC1PDGFRBKDR
SCHEMBL18729635 0.76 LDHA (0.54) LDHARAB9ANPC1PDGFRBKDR
SCHEMBL15420845 0.75 LDHA (0.57) LDHARAB9ANPC1PDGFRBKDR
SCHEMBL18729562 0.75 LDHA (0.49) LDHARAB9ANPC1SMN1; SMN2CYP11B1
SCHEMBL24701645 0.74 LDHA (0.46) LDHARAB9ANPC1PDGFRBKDR

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-20140231755-A1 PHOSPHORESCENT COMPOUND UNIVERSAL DISPLAY CORPORATION (US) 2014-08-21 US disclosed