SCHEMBL3394038

SCHEMBL3394038

CN(c1cc(-c2ccccc2)[nH]n1)c1nncc(-c2ccccc2O)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 8/20 0.44
MAPT P10636 9/20 0.40
SMN1; SMN2 Q16637 8/20 0.40
RAB9A P51151 7/20 0.40
HPGD P15428 6/20 0.40
NFKB1 P19838 5/20 0.40
NFKB2 Q00653 5/20 0.40
RELA Q04206 5/20 0.40
USP2 O75604 1/20 0.40
TSHR P16473 1/20 0.40
MEN1 O00255 10/20 0.38
KMT2A Q03164 10/20 0.38
ALOX12 P18054 4/20 0.38
HSD17B10 Q99714 1/20 0.38
LMNA P02545 6/20 0.37
MAPK1 P28482 4/20 0.37
TP53 P04637 2/20 0.37
NPC1 O15118 5/20 0.37
KDM4E B2RXH2 3/20 0.37
NR2F2 P24468 1/20 0.37

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
SCHEMBL3394036 0.72 ALOX15 (0.45) ALOX15MAPTSMN1; SMN2RAB9AHPGD
SCHEMBL1250937 0.71 ALOX15 (0.76) ALOX15MAPTSMN1; SMN2RAB9AHPGD
SCHEMBL3393481 0.68 MAPT (0.38) MAPTRAB9AHPGDNFKB1NFKB2
SCHEMBL17943298 0.65 MEN1 (0.61) ALOX15MAPTSMN1; SMN2RAB9AHPGD
SCHEMBL17938573 0.65 ALDH1A1 (0.60) ALOX15MAPTSMN1; SMN2RAB9AHPGD
SCHEMBL3394362 0.65 PTGES (0.37) MAPTHPGDKMT2AHSD17B10MAPK1
SCHEMBL1528352 0.63 ALOX15 (1.00) ALOX15MAPTSMN1; SMN2RAB9AHPGD
SCHEMBL30498702 0.63 GABRG2 (0.65) ALOX15MAPTSMN1; SMN2RAB9AHPGD
SCHEMBL17943327 0.62 ALOX15 (0.65) ALOX15MAPTSMN1; SMN2RAB9AHPGD
SCHEMBL10357362 0.62 KMT2A (0.78) ALOX15MAPTSMN1; SMN2RAB9AHPGD

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
WO-2010046780-A2 ANTI VIRAL COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2010-04-29 WO disclosed