SCHEMBL11149320

SCHEMBL11149320

C=CCOc1cnc(SC)nc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ MAPT P10636 6/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ CA12 O43570 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA7 P43166 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ GAA P10253 1/20 0.35
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ TP53 P04637 1/20 0.34
▸ CHRNB2 P17787 1/20 0.34
▸ CHRNB4 P30926 1/20 0.34
▸ CHRNA3 P32297 1/20 0.34
▸ CHRNA4 P43681 1/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ LMNA P02545 1/20 0.33

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
SCHEMBL3820943 0.75 CA12 (0.40) MEN1KMT2AMAPTKDM4ECA12
SCHEMBL31698420 0.74 CA12 (0.39) MEN1KMT2AMAPTKDM4ECA12
SCHEMBL1819813 0.73 MEN1 (0.39) MEN1KMT2AMAPTKDM4ENPSR1
SCHEMBL4956017 0.71 CA12 (0.44) MEN1KMT2AMAPTKDM4ECA12
SCHEMBL17394990 0.71 KMT2A (0.49) MEN1KMT2AMAPTKDM4EGAA
SCHEMBL11244372 0.71 CA12 (0.49) MEN1KMT2AMAPTKDM4ENPSR1
SCHEMBL11142475 0.70 CA12 (0.45) MAPTNPSR1CA12CA1CA2
SCHEMBL8354332 0.70 FGFR4 (0.38) MEN1KMT2AMAPTKDM4ECA12
SCHEMBL12147790 0.69 CA12 (0.43) MEN1KMT2AMAPTCA12CA1
SCHEMBL17395038 0.69 ACACB (0.30) —

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4410530-A CARDIO-SELECTIVE B-RECEPTOR BLOCKING AGENTS AND STIMULANTS CIBA-GEIGY CORPORATION (US) 1983-10-18 — — US disclosed
US-4195090-A ADRENERGIC BLOCKING AGENTS CIBA-GEIGY CORPORATION (US) 1980-03-25 — — US disclosed
US-4115575-A CARDIOVASCULAR DISORDERS CIBA-GEIGY CORPORATION (US) 1978-09-19 — — US disclosed
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