SCHEMBL9718859

SCHEMBL9718859

c1ccc(Nc2nc3cccc(Nc4ccccc4)c3[nH]2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.50
AKR1C3 P42330 1/20 0.49
GAA P10253 3/20 0.47
LMNA P02545 2/20 0.47
HTT P42858 1/20 0.47
GFER P55789 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MEN1 O00255 6/20 0.46
KMT2A Q03164 6/20 0.46
TP53 P04637 2/20 0.44
ALDH1A1 P00352 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
MAPT P10636 6/20 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
SCHEMBL18410602 0.82 PIM1 (0.49) PIM1AKR1C3GAALMNAHTT
SCHEMBL9081346 0.82 MEN1 (0.46) GAALMNAGFERTAAR1MEN1
SCHEMBL8573943 0.82 MEN1 (0.53) PIM1AKR1C3GAALMNAHTT
SCHEMBL18236212 0.82 PIM1 (0.49) PIM1AKR1C3GAALMNAHTT
SCHEMBL18233013 0.78 PIM1 (0.46) PIM1AKR1C3GAALMNAHTT
SCHEMBL2927614 0.76 AKR1C3 (0.49) PIM1AKR1C3GAALMNAHTT
SCHEMBL30020996 0.75 MEN1 (0.75) AKR1C3GAALMNAMEN1KMT2A
SCHEMBL239690 0.75 MEN1 (0.75) AKR1C3GAALMNAMEN1KMT2A
SCHEMBL5312503 0.74 MAPT (0.51) PIM1AKR1C3GAALMNAHTT
SCHEMBL9718855 0.73 PIM1 (0.50) PIM1AKR1C3GAALMNAHTT

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