SCHEMBL9276325

SCHEMBL9276325

Nc1ccccc1N1C=CC=CC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.41
GAA P10253 4/20 0.41
KDM4E B2RXH2 2/20 0.41
ADRA2C P18825 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
USP2 O75604 2/20 0.38
TP53 P04637 1/20 0.38
HTT P42858 1/20 0.38
CYP3A4 P08684 1/20 0.33
ALOX15 P16050 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL7789812 0.77 ALDH1A1 (0.41) KDM4EMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL28000779 0.77 ADRB1 (0.40) KDM4EMEN1KMT2AHTTALDH1A1
SCHEMBL29958355 0.77
SCHEMBL9276285 0.77 MGLL (0.37)
SCHEMBL1238592 0.77 MGLL (0.37)
SCHEMBL28406341 0.77 GAA (0.36) GAAKDM4EMEN1KMT2AHTT
SCHEMBL3319952 0.74 HSD17B10 (0.42) KDM4EMEN1KMT2ATP53ALOX15
SCHEMBL9588021 0.74 NPC1 (0.49) KEAP1GAAKDM4ESMN1; SMN2ALDH1A1
SCHEMBL5314044 0.73 KDM4E (0.37) KDM4EKMT2AHTTALOX15SMN1; SMN2
SCHEMBL28211992 0.73 FAAH (0.42) CYP3A4ALOX15ALDH1A1MAPTL3MBTL1

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-0656004-A1 DUAL FUNCTIONAL ANTI-INFLAMMATORY AND IMMUNOSUPPRESSIVE AGENTS CYTOMED, INC. (US) 1995-06-07 EP disclosed