SCHEMBL11550870

SCHEMBL11550870

COc1ccc2c(=O)c(C#N)coc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.60
NPC1 O15118 4/20 0.60
MAPT P10636 4/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
KDM4E B2RXH2 2/20 0.60
ALDH1A1 P00352 1/20 0.60
TP53 P04637 1/20 0.60
CYP3A4 P08684 1/20 0.60
HPGD P15428 1/20 0.60
MAOB P27338 8/20 0.54
MAOA P21397 7/20 0.54
XDH P47989 1/20 0.54
GLA P06280 1/20 0.52
PTGS2 P35354 1/20 0.52
PIN1 Q13526 1/20 0.51
CYP11B1 P15538 1/20 0.51
CYP11B2 P19099 1/20 0.51
NFKB1 P19838 1/20 0.50

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
SCHEMBL11551420 0.88 ALDH1A1 (0.55) RAB9ANPC1MAPTSMN1; SMN2MEN1
SCHEMBL11875767 0.83 MAPT (0.64) RAB9ANPC1MAPTSMN1; SMN2MEN1
SCHEMBL5242883 0.81 MAPT (0.59) RAB9ANPC1MAPTSMN1; SMN2MEN1
SCHEMBL11501434 0.80 ALDH2 (0.59) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL31619653 0.77 GPR35 (0.45) RAB9ANPC1MAPTSMN1; SMN2KMT2A
SCHEMBL5242625 0.77 RAB9A (0.61) RAB9ANPC1MAPTSMN1; SMN2MEN1
SCHEMBL11565649 0.77 RAB9A (0.61) RAB9ANPC1MAPTSMN1; SMN2MEN1
SCHEMBL19182258 0.77 ALDH1A1 (0.44) RAB9ANPC1MAPTSMN1; SMN2MEN1
SCHEMBL28990293 0.77 RAB9A (0.61) RAB9ANPC1MAPTSMN1; SMN2MEN1
SCHEMBL2109107 0.77 RAB9A (0.61) RAB9ANPC1MAPTSMN1; SMN2MEN1

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-4151180-A INTERMEDIATES FOR ANTIALLERGENS, ANTIHISTAMINES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1979-04-24 US claimed