SCHEMBL20385472

SCHEMBL20385472

CCn1nnc(C)c1-c1ccc2nc(C)[nH]c2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.52
NPC1 O15118 5/20 0.52
SMN1; SMN2 Q16637 5/20 0.52
POLB P06746 4/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
ALDH1A1 P00352 5/20 0.45
KDM4E B2RXH2 4/20 0.45
HPGD P15428 3/20 0.45
HCRTR1 O43613 1/20 0.45
NFKB1 P19838 1/20 0.45
STAT1 P42224 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
MAPT P10636 4/20 0.45
GFER P55789 2/20 0.45
GAA P10253 2/20 0.45
GLA P06280 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
PRKCI P41743 1/20 0.40

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
SCHEMBL2457137 0.74 RAB9A (0.67) RAB9ANPC1SMN1; SMN2POLBMEN1
SCHEMBL2756682 0.70 RAB9A (0.61) RAB9ANPC1SMN1; SMN2POLBMEN1
SCHEMBL13071128 0.70 NPC1 (0.54) RAB9ANPC1SMN1; SMN2POLBMEN1
SCHEMBL14665614 0.69 NPC1 (1.00) RAB9ANPC1SMN1; SMN2POLBMEN1
SCHEMBL14665681 0.69 NPC1 (1.00) RAB9ANPC1SMN1; SMN2POLBMEN1
SCHEMBL13041695 0.69 RAB9A (0.64) RAB9ANPC1SMN1; SMN2POLBMEN1
SCHEMBL15747134 0.69 RAB9A (0.59) RAB9ANPC1SMN1; SMN2POLBMEN1
SCHEMBL30572488 0.69 RAB9A (0.59) RAB9ANPC1SMN1; SMN2POLBMEN1
SCHEMBL9980119 0.69 RAB9A (0.59) RAB9ANPC1SMN1; SMN2POLBMEN1
SCHEMBL30572573 0.67 RAB9A (0.67) RAB9ANPC1SMN1; SMN2POLBMEN1

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-2018130227-A1 AROMATIC RING-CONTAINING COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION, AND USE 山东罗欣药业集团股份有限公司 2018-07-19 WO disclosed