SCHEMBL18808809

SCHEMBL18808809

Cc1cc2nc3c(nc2cc1Cl)[nH]c1ccccc13

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.62
RAB9A P51151 3/20 0.62
SMN1; SMN2 Q16637 3/20 0.62
POLB P06746 3/20 0.62
TP53 P04637 2/20 0.62
CASP1 P29466 2/20 0.62
MAPK10 P53779 2/20 0.62
CASP7 P55210 2/20 0.62
MAPT P10636 9/20 0.58
CYP1A2 P05177 5/20 0.58
CYP3A4 P08684 3/20 0.58
CYP2C19 P33261 3/20 0.58
MAPK1 P28482 2/20 0.58
CYP2C9 P11712 2/20 0.58
PLK4 O00444 1/20 0.50
CHEK1 O14757 1/20 0.50
AURKA O14965 1/20 0.50
DAPK3 O43293 1/20 0.50
CHEK2 O96017 1/20 0.50
CDK1 P06493 1/20 0.50

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
SCHEMBL278691 0.90 NPC1 (0.72) NPC1RAB9ASMN1; SMN2POLBTP53
SCHEMBL9436882 0.90 NPC1 (0.72) NPC1RAB9ASMN1; SMN2POLBTP53
SCHEMBL8832035 0.79 NPC1 (0.71) NPC1RAB9ASMN1; SMN2POLBTP53
SCHEMBL278729 0.78 RAB9A (1.00) NPC1RAB9ASMN1; SMN2POLBTP53
SCHEMBL29572859 0.78 RAB9A (1.00) NPC1RAB9ASMN1; SMN2POLBTP53
SCHEMBL24108671 0.77 CYP1A2 (0.61) NPC1RAB9ASMN1; SMN2POLBTP53
SCHEMBL29412926 0.77 CYP1A2 (0.61) NPC1RAB9ASMN1; SMN2POLBTP53
SCHEMBL9706302 0.74 NPC1 (0.61) NPC1RAB9ASMN1; SMN2POLBTP53
SCHEMBL8832011 0.74 NPC1 (0.71) NPC1RAB9ASMN1; SMN2POLBTP53
SCHEMBL9436884 0.71 RAB9A (0.62) NPC1RAB9ASMN1; SMN2POLBTP53

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
EP-2004847-B1 OLIGONUCLEOTIDES COMPRISING SIGNALLING PAIRS AND HYDROPHOBIC NUCLEOTIDES, STEMLESS BEACONS, FOR DETECTION OF NUCLEIC ACIDS, METHYLATION STATUS AND MUTANTS OF NUCLEIC ACIDS PENTABASE APS (DK) 2017-05-03 EP disclosed