SCHEMBL9718845

SCHEMBL9718845

c1ccc(Nc2nc3c(Nc4ccccc4)cccc3o2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.60
NPC1 O15118 6/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
ALDH1A1 P00352 2/20 0.60
GAA P10253 2/20 0.60
PKM P14618 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
F2 P00734 1/20 0.46
TP53 P04637 1/20 0.44
CYP3A4 P08684 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
CDC25B P30305 1/20 0.44
ATM Q13315 1/20 0.44
HSD17B10 Q99714 1/20 0.44
KDM4E B2RXH2 4/20 0.44
MEN1 O00255 3/20 0.44
MAPT P10636 3/20 0.44
KMT2A Q03164 3/20 0.44

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
SCHEMBL21776904 0.82 NPC1 (0.58) RAB9ANPC1SMN1; SMN2ALDH1A1GAA
SCHEMBL8567637 0.82 RAB9A (0.58) RAB9ANPC1SMN1; SMN2ALDH1A1GAA
SCHEMBL1005268 0.78 NPC1 (0.54) RAB9ANPC1SMN1; SMN2ALDH1A1GAA
SCHEMBL31213015 0.78 ALDH1A1 (0.54) RAB9ANPC1SMN1; SMN2ALDH1A1GAA
SCHEMBL2658434 0.75 NPC1 (1.00) RAB9ANPC1SMN1; SMN2ALDH1A1GAA
SCHEMBL6929444 0.75 F2 (0.83) RAB9ANPC1SMN1; SMN2ALDH1A1GAA
SCHEMBL1003521 0.74 TOP2A (0.58) RAB9ANPC1SMN1; SMN2ALDH1A1GAA
SCHEMBL3477331 0.73 ALDH1A1 (0.45) RAB9ANPC1SMN1; SMN2ALDH1A1GAA
SCHEMBL3322328 0.73 PSEN1 (0.39) RAB9ANPC1SMN1; SMN2ALDH1A1GAA
SCHEMBL16004922 0.71 MEN1 (0.46) RAB9ANPC1SMN1; SMN2ALDH1A1GAA

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-5151472-A Dissolving polyetherimides in a solvent, adding a dianhydride and a diamine, reacting to form a polyamic acid and cyclizing to form a polyimide GENERAL DYNAMICS CORPORATION, CONVAIR DIVISION (US) 1992-09-29 US disclosed