SCHEMBL22295606

SCHEMBL22295606

NSC1CCN(C(=O)OCc2ccccc2)C1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.62
▸ CYP2C19 P33261 1/20 0.62
▸ NPC1 O15118 3/20 0.61
▸ RAB9A P51151 3/20 0.61
▸ MEN1 O00255 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.52
▸ GRIN2B Q13224 9/20 0.52
▸ CYP2D6 P10635 4/20 0.52
▸ CYP2C9 P11712 4/20 0.52
▸ HTT P42858 1/20 0.50
▸ CYP3A4 P08684 3/20 0.49
▸ PDE4B Q07343 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ USP30 Q70CQ3 1/20 0.47
▸ ENPP2 Q13822 1/20 0.46

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
SCHEMBL18732908 0.92 SMN1; SMN2 (0.69) SMN1; SMN2CYP2C19NPC1RAB9AMEN1
SCHEMBL20634347 0.89 SMN1; SMN2 (0.57) SMN1; SMN2CYP2C19NPC1RAB9AMEN1
SCHEMBL28297839 0.87 SMN1; SMN2 (0.61) SMN1; SMN2CYP2C19NPC1RAB9AMEN1
SCHEMBL19520183 0.87 SMN1; SMN2 (0.61) SMN1; SMN2CYP2C19NPC1RAB9AMEN1
SCHEMBL19544793 0.87 SMN1; SMN2 (0.61) SMN1; SMN2CYP2C19NPC1RAB9AMEN1
SCHEMBL1103931 0.85 SMN1; SMN2 (0.59) SMN1; SMN2CYP2C19NPC1RAB9AMEN1
SCHEMBL21806036 0.85 SMN1; SMN2 (0.59) SMN1; SMN2CYP2C19NPC1RAB9AMEN1
SCHEMBL11931619 0.85 SMN1; SMN2 (0.59) SMN1; SMN2CYP2C19NPC1RAB9AMEN1
SCHEMBL266047 0.82 SMN1; SMN2 (0.67) SMN1; SMN2CYP2C19NPC1RAB9AMEN1
SCHEMBL6524693 0.82 SMN1; SMN2 (0.67) SMN1; SMN2CYP2C19NPC1RAB9AMEN1

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-3359541-B1 N-SULFONYLATED PYRAZOLO[3,4-B]PYRIDIN-6-CARBOXAMIDES AND METHOD OF USE ABBVIE OVERSEAS SARL (LU) 2020-08-05 — — EP disclosed
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