SCHEMBL8535966

SCHEMBL8535966

O=c1occcc1-c1ccc(OCc2ccncc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 2/20 0.48
MAOB P27338 2/20 0.40
PDE10A Q9Y233 2/20 0.40
F2 P00734 2/20 0.40
CYP27B1 O15528 1/20 0.40
CYP24A1 Q07973 1/20 0.40
NPC1 O15118 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
IKBKB O14920 1/20 0.40
CYP19A1 P11511 2/20 0.39
BRD4 O60885 1/20 0.39
CREBBP Q92793 1/20 0.39
AR P10275 1/20 0.39
KCNH2 Q12809 1/20 0.39
GRIN2B Q13224 1/20 0.39
ADAMTS4 O75173 1/20 0.38
MMP13 P45452 1/20 0.38

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
SCHEMBL9047747 0.79 PIK3R1 (0.42) NPC1HTTSMN1; SMN2
SCHEMBL6689631 0.74 GSTP1 (0.48) GSTP1NPC1HTTSMN1; SMN2
SCHEMBL1957932 0.70 F2 (0.62) GSTP1MAOBF2NPC1HTT
SCHEMBL28065277 0.69 ESR2 (0.45) MAOBNPC1SMN1; SMN2CYP19A1
SCHEMBL4569962 0.69 F2 (0.60) MAOBF2NPC1HTTSMN1; SMN2
SCHEMBL812897 0.67 CTRC (0.48) MAOBHTT
SCHEMBL28254274 0.66 GSTP1 (0.57) GSTP1MAOBNPC1SMN1; SMN2KCNH2
SCHEMBL25081229 0.66 PRMT5 (0.45) MAOBF2CYP27B1CYP24A1NPC1
SCHEMBL1423718 0.66 IKBKE (0.49) GSTP1MAOBF2NPC1SMN1; SMN2
SCHEMBL1423595 0.66 F2 (0.50) GSTP1MAOBF2NPC1HTT

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
US-5808062-A AIDS THERAPY WARNER-LAMBERT COMPANY (US) 1998-09-15 US disclosed