SCHEMBL18899302

SCHEMBL18899302

CCc1cnc(-c2cc(C/C=C\CNC)n(Cc3ccccc3)n2)nc1N

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GUCY1B2 O75343 3/20 0.37
▸ GUCY1A2 P33402 3/20 0.37
▸ GUCY1A1 Q02108 3/20 0.37
▸ GUCY1B1 Q02153 3/20 0.37
▸ HDAC3 O15379 3/20 0.36
▸ HDAC4 P56524 3/20 0.36
▸ HDAC1 Q13547 3/20 0.36
▸ HDAC7 Q8WUI4 3/20 0.36
▸ HDAC2 Q92769 3/20 0.36
▸ HDAC10 Q969S8 3/20 0.36
▸ HDAC11 Q96DB2 3/20 0.36
▸ HDAC8 Q9BY41 3/20 0.36
▸ HDAC6 Q9UBN7 3/20 0.36
▸ HDAC9 Q9UKV0 3/20 0.36
▸ HDAC5 Q9UQL6 3/20 0.36
▸ NCOR2 Q9Y618 3/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ HTR2C P28335 2/20 0.33
▸ SLC6A4 P31645 2/20 0.33
▸ HTR2A P28223 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
SCHEMBL18899190 0.66 GUCY1B2 (0.41) GUCY1B2GUCY1A2GUCY1A1GUCY1B1HDAC3
SCHEMBL18899080 0.65 GUCY1B2 (0.46) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL20309934 0.64 GUCY1B2 (0.48) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL20309818 0.64 GUCY1B2 (0.65) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL15075439 0.63 SMN1; SMN2 (0.40) SMN1; SMN2ADORA2AMEN1GALR3GAA
SCHEMBL10330275 0.62 KDM4E (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL29007620 0.62 SMN1; SMN2 (0.62) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL15075433 0.61 ADORA2A (0.40) SMN1; SMN2ADORA2AMEN1GALR3GAA
SCHEMBL17481626 0.61 GUCY1B2 (0.80) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL23434369 0.60 GUCY1B2 (0.52) GUCY1B2GUCY1A2GUCY1A1GUCY1B1

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
EP-3173407-A1 SGC STIMULATORS Ironwood Pharmaceuticals, Inc. (US) 2017-05-31 — — EP disclosed
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