SCHEMBL10480698

SCHEMBL10480698

COc1cccc2c(Nc3ccccc3C)nc(N)nc12.COc1cccc2c(Nc3ccccc3C)nc(Nc3ccccc3C)nc12.Cc1ccccc1Nc1nc(Nc2ccccc2C)c2ccccc2n1

nearest known ligand 0.80

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 2/20 0.59
NPC1 O15118 1/20 0.52
LMNA P02545 1/20 0.52
PKM P14618 1/20 0.52
NFKB1 P19838 1/20 0.52
RAB9A P51151 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52

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
SCHEMBL9776669 0.89
Hydrochloric Acid SCHEMBL3118577 0.88
SCHEMBL9508885 0.88 SLC2A1 (0.57) SLC2A1
Hydrochloric Acid SCHEMBL9776703 0.87 SLC2A1 (0.56) SLC2A1
Hydrochloric Acid SCHEMBL9776791 0.86
SCHEMBL9776719 0.81
SCHEMBL9776702 0.81 MAPT (0.53) NPC1LMNARAB9A
SCHEMBL9510869 0.81
Hydrochloric Acid SCHEMBL9776804 0.80
SCHEMBL9776700 0.80 SLC2A1 (0.83) SLC2A1NPC1LMNAPKMNFKB1

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
WO-1989005297-A1 COMPOUNDS SMITHKLINE BECKMAN INTERCREDIT B.V. (NL) 1989-06-15 WO claimed