SCHEMBL30701865

SCHEMBL30701865

Cc1cc2nc(Cc3nc4cc(C)c(C)cc4[nH]3)[nH]c2cc1C

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.72
MAPT P10636 3/20 0.72
MEN1 O00255 2/20 0.72
ATM Q13315 2/20 0.72
PSMD14 O00487 1/20 0.72
MMP2 P08253 1/20 0.72
TDP1 Q9NUW8 1/20 0.72
F10 P00742 2/20 0.63
FABP6 P51161 1/20 0.57
KDM4E B2RXH2 1/20 0.55
CACNA1B Q00975 1/20 0.55
APBA1 Q02410 1/20 0.55
MCL1 Q07820 1/20 0.55
PDE10A Q9Y233 1/20 0.51
GAA P10253 2/20 0.47
HTT P42858 1/20 0.47
HRH4 Q9H3N8 1/20 0.46
NPC1 O15118 1/20 0.46
LMNA P02545 1/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL7853107 1.00 KMT2A (0.72) KMT2AMAPTMEN1ATMPSMD14
SCHEMBL8845396 0.86 KMT2A (0.70) KMT2AMAPTMEN1ATMPSMD14
SCHEMBL16188974 0.85 KMT2A (0.64) KMT2AMAPTMEN1ATMPSMD14
SCHEMBL11222676 0.84 KMT2A (0.68) KMT2AMAPTMEN1ATMPSMD14
SCHEMBL9999681 0.84 KMT2A (0.68) KMT2AMAPTMEN1ATMPSMD14
SCHEMBL9667178 0.84 KMT2A (1.00) KMT2AMAPTMEN1ATMPSMD14
SCHEMBL3312289 0.84 KMT2A (0.68) KMT2AMAPTMEN1ATMPSMD14
SCHEMBL2792513 0.84 KMT2A (0.68) KMT2AMAPTMEN1ATMPSMD14
SCHEMBL29823092 0.83 MAPT (0.57) KMT2AMAPTMEN1ATMPSMD14
SCHEMBL28925308 0.83 MAPT (0.57) KMT2AMAPTMEN1ATMPSMD14

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
CN-117242047-A Process for the vapor phase hydrogenation of aldehydes 陶氏技术投资有限责任公司 2023-12-15 CN disclosed