SCHEMBL9718878

SCHEMBL9718878

Nc1ccccc1-c1nc2c(-c3ccccc3N)cccc2s1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.65
KDM4E B2RXH2 8/20 0.65
SMN1; SMN2 Q16637 5/20 0.65
TDP1 Q9NUW8 4/20 0.65
MEN1 O00255 4/20 0.65
NPC1 O15118 4/20 0.65
RAB9A P51151 4/20 0.65
KMT2A Q03164 4/20 0.65
L3MBTL1 Q9Y468 3/20 0.65
MAPT P10636 3/20 0.65
GAA P10253 2/20 0.65
PPARG P37231 1/20 0.42
NCOA2 Q15596 1/20 0.42
NCOA1 Q15788 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
ILK Q13418 2/20 0.40
CYP3A4 P08684 1/20 0.39
PDPK1 O15530 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL21089385 0.89 ALDH1A1 (0.56) ALDH1A1KDM4ESMN1; SMN2TDP1MEN1
SCHEMBL21089192 0.89 ALDH1A1 (0.59) ALDH1A1KDM4ESMN1; SMN2TDP1MEN1
SCHEMBL10779720 0.87 ALDH1A1 (0.61) ALDH1A1KDM4ESMN1; SMN2TDP1MEN1
SCHEMBL11698798 0.85 SMN1; SMN2 (0.59) ALDH1A1KDM4ESMN1; SMN2TDP1MEN1
SCHEMBL906903 0.85 SMN1; SMN2 (0.50) ALDH1A1KDM4ESMN1; SMN2TDP1MEN1
SCHEMBL21089187 0.80 KDM4E (0.50) ALDH1A1KDM4ESMN1; SMN2TDP1MEN1
SCHEMBL3247624 0.80 ALDH1A1 (0.47) ALDH1A1KDM4ESMN1; SMN2TDP1MEN1
SCHEMBL8530618 0.79 MAPT (0.52) ALDH1A1KDM4ESMN1; SMN2TDP1MEN1
SCHEMBL914476 0.79 KDM4E (1.00) ALDH1A1KDM4ESMN1; SMN2TDP1MEN1
SCHEMBL29437945 0.79 KDM4E (1.00) ALDH1A1KDM4ESMN1; SMN2TDP1MEN1

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