SCHEMBL5486419

SCHEMBL5486419

O=C(Nc1ccc(NC2CCOCC2)nc1)c1cccnc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.58
SMN1; SMN2 Q16637 8/20 0.58
RAB9A P51151 8/20 0.58
NPC1 O15118 7/20 0.58
TP53 P04637 4/20 0.58
ALOX15 P16050 1/20 0.58
LMNA P02545 1/20 0.54
HIF1A Q16665 1/20 0.54
KCNQ3 O43525 1/20 0.53
KCNQ2 O43526 1/20 0.53
ALDH1A1 P00352 3/20 0.52
GAA P10253 2/20 0.52
MAPT P10636 2/20 0.51
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
ROCK2 O75116 1/20 0.50
ROCK1 Q13464 1/20 0.50
KDM4E B2RXH2 1/20 0.50
GFER P55789 1/20 0.49
PIM1 P11309 1/20 0.48

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
SCHEMBL5483905 0.85 CYP2C19 (0.54) CYP2C19SMN1; SMN2RAB9ANPC1TP53
SCHEMBL5486398 0.80 CYP1A2 (0.46) SMN1; SMN2RAB9ANPC1TP53LMNA
SCHEMBL5486403 0.79 MLYCD (0.46) SMN1; SMN2RAB9ANPC1TP53ALOX15
SCHEMBL5483909 0.78 SMN1; SMN2 (0.53) CYP2C19SMN1; SMN2RAB9ANPC1TP53
SCHEMBL5083468 0.78 ALDH1A1 (0.65) SMN1; SMN2RAB9ATP53ALDH1A1MAPT
SCHEMBL23245969 0.74 KCNQ3 (0.45) KCNQ3KCNQ2
SCHEMBL29634591 0.73 ALDH1A1 (0.59) CYP2C19SMN1; SMN2RAB9AALDH1A1MAPT
SCHEMBL23387883 0.73 ALDH1A1 (0.59) CYP2C19SMN1; SMN2RAB9AALDH1A1MAPT
SCHEMBL1571386 0.72 LMNA (1.00) RAB9ANPC1LMNAHIF1AGAA
SCHEMBL18979462 0.72 SMN1; SMN2 (0.52) CYP2C19SMN1; SMN2RAB9ANPC1TP53

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