SCHEMBL5489767

SCHEMBL5489767

Cc1ncc(N)cc1C(=O)Oc1ccc(OCc2ccncc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.41
LMNA P02545 4/20 0.40
NPC1 O15118 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
MAOB P27338 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
PARP10 Q53GL7 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
HSP90AA1 P07900 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
SCHEMBL5489466 0.80 MAPT (0.46) LMNANPC1CYP1A2CYP2C9CYP2C19
SCHEMBL5487922 0.72 SMN1; SMN2 (0.51) NPC1CYP1A2MAOBSMN1; SMN2KMT2A
SCHEMBL3182484 0.70 MAOB (0.66) LMNAMAOBCYP3A4CYP2D6SMN1; SMN2
SCHEMBL2328573 0.70 KDM4E (0.53) LMNANPC1CYP1A2CYP3A4SMN1; SMN2
SCHEMBL25325847 0.69 OPRK1 (0.47) HSD17B10
Hydrochloric Acid SCHEMBL14988575 0.69 MAOB (0.63) MAOBCYP3A4SMN1; SMN2MAOA
SCHEMBL28671264 0.68 PPARG (0.41) DHODHLMNANPC1CYP1A2CYP2C9
SCHEMBL5490592 0.68 NPC1 (0.43) LMNANPC1CYP1A2CYP2C9CYP2C19
SCHEMBL169752 0.67 MAOB (0.54) NPC1MAOBPARP10SMN1; SMN2NOS3
SCHEMBL6959187 0.67 MAOB (0.71) MAOBSMN1; SMN2MAOA

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