SCHEMBL9718869

SCHEMBL9718869

Nc1ccccc1-c1nc2cccc(-c3ccccc3N)c2[nH]1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.65
NPC1 O15118 7/20 0.65
RAB9A P51151 7/20 0.65
SMN1; SMN2 Q16637 5/20 0.65
KDM4E B2RXH2 4/20 0.65
HPGD P15428 3/20 0.65
GAA P10253 3/20 0.65
MAPT P10636 3/20 0.65
NPSR1 Q6W5P4 2/20 0.65
GLA P06280 1/20 0.65
HSD17B10 Q99714 1/20 0.65
L3MBTL1 Q9Y468 4/20 0.45
DCUN1D1 Q96GG9 1/20 0.45
HTT P42858 1/20 0.44
CDK1 P06493 1/20 0.43
CDK2 P24941 1/20 0.43
MKNK1 Q9BUB5 1/20 0.43
MKNK2 Q9HBH9 1/20 0.43
IDO1 P14902 2/20 0.42
MEN1 O00255 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
SCHEMBL9233316 0.84 ALDH1A1 (0.49) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL9045175 0.82 ALDH1A1 (0.55) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL27461815 0.81 KDM4E (0.54) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL29424535 0.79 NPC1 (1.00) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL218892 0.79 NPC1 (1.00) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL7717955 0.77 NPC1 (0.50) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL8900536 0.76 F7 (0.60) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL1895948 0.74 NPC1 (0.55) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL30362075 0.73 GUSB (0.68) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL2606253 0.73 GUSB (0.68) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E

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