SCHEMBL11548527

SCHEMBL11548527

CCc1ccc2oc(=O)c(-c3nnn[nH]3)cc2c1.[NaH]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.41
▸ THRB P10828 1/20 0.41
▸ TP53 P04637 3/20 0.41
▸ GLA P06280 1/20 0.39
▸ CA12 O43570 2/20 0.39
▸ CA2 P00918 2/20 0.39
▸ CA3 P07451 2/20 0.39
▸ CA6 P23280 2/20 0.39
▸ CA7 P43166 2/20 0.39
▸ CA9 Q16790 2/20 0.39
▸ CA14 Q9ULX7 2/20 0.39
▸ CA5B Q9Y2D0 2/20 0.39
▸ CA4 P22748 1/20 0.39
▸ JMJD6 Q6NYC1 1/20 0.38
▸ MAOB P27338 7/20 0.38
▸ CA5A P35218 1/20 0.38
▸ ADORA3 P0DMS8 1/20 0.37
▸ GPR35 Q9HC97 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36

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
SCHEMBL11465519 0.99 MAPT (0.42) MAPTTHRBTP53GLACA12
SCHEMBL11503585 0.84 CA12 (0.40) MAPTTP53CA12CA2CA3
SCHEMBL11553588 0.80 PTGS1 (0.56) MAPTTP53GLACA12CA2
SCHEMBL11481868 0.79 TP53 (0.42) MAPTTP53JMJD6MAOBADORA3
SCHEMBL11548964 0.79 MAOB (0.60) MAPTTHRBTP53CA12CA2
SCHEMBL11018706 0.78 GPR35 (0.58) MAPTTP53GLAMAOBGPR35
SCHEMBL11152688 0.77 GPR35 (0.46) MAPTMAOBGPR35
SCHEMBL11548529 0.75 TP53 (0.36) MAPTTP53MAOBNPC1RAB9A
SCHEMBL10688222 0.74 MAOB (0.49) MAPTTP53GLAMAOBNPC1
SCHEMBL11550765 0.73 TP53 (0.37) MAPTTP53MAOBNPC1RAB9A

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 disclosed
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