SCHEMBL5489466

SCHEMBL5489466

COc1ccc(OC(=O)c2cc(N)cnc2C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
LMNA P02545 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 3/20 0.43
TP53 P04637 1/20 0.42
CASP3 P42574 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
GAA P10253 2/20 0.41
PRSS1 P07477 1/20 0.40
ACR P10323 1/20 0.40
F12 P00748 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
SCHEMBL5489767 0.80 DHODH (0.41) SMN1; SMN2NPC1NFKB1NFKB2RELA
SCHEMBL25325847 0.80 OPRK1 (0.47) MAPTGAAKDM4EALDH1A1HPGD
SCHEMBL5492755 0.79 MAPT (0.50) MAPTSMN1; SMN2NPC1RAB9ANFKB1
SCHEMBL5487922 0.75 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9ACYP1A2KMT2A
SCHEMBL28707488 0.75 KMT2A (0.54) MAPTSMN1; SMN2NPC1RAB9ANFKB1
SCHEMBL2328573 0.74 KDM4E (0.53) MAPTSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL2324851 0.71 KMT2A (0.55) MAPTLMNACYP2C9CYP2C19KMT2A
SCHEMBL24364823 0.71 NNMT (0.43) KMT2ATDP1KDM4E
SCHEMBL5592985 0.71 SMN1; SMN2 (0.52) MAPTSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL4728295 0.71 KMT2A (0.50) MAPTSMN1; SMN2NPC1RAB9AKMT2A

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-2007056016-A2 BISAMIDE CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-05-18 WO disclosed