SCHEMBL21653197

SCHEMBL21653197

CCn1cc(NC(=O)C2CCCC2)ccc1=O

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 1/20 0.55
▸ PTPN1 P18031 1/20 0.51
▸ ALDH1A1 P00352 6/20 0.49
▸ HPGD P15428 3/20 0.49
▸ KDM4E B2RXH2 3/20 0.49
▸ ENPP3 O14638 2/20 0.49
▸ ENPP1 P22413 2/20 0.49
▸ ENPP2 Q13822 2/20 0.49
▸ HSD17B10 Q99714 2/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ NPSR1 Q6W5P4 2/20 0.47
▸ LMNA P02545 1/20 0.47
▸ GAA P10253 1/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ NAMPT P43490 1/20 0.45

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
SCHEMBL21653300 0.99 PTPN1 (0.54) RAB9APTPN1ALDH1A1HPGDKDM4E
SCHEMBL21652982 0.89 ALDH1A1 (0.46) RAB9AALDH1A1HPGDKDM4ENPSR1
SCHEMBL21653189 0.89 RAB9A (0.43) RAB9APTPN1ALDH1A1HPGDKDM4E
SCHEMBL21652984 0.86 ALOX15 (0.48) RAB9AALDH1A1HPGDKDM4EHSD17B10
SCHEMBL21653188 0.85 NAMPT (0.42) RAB9AALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL21653191 0.84 NAMPT (0.41) RAB9AALDH1A1KDM4ESMN1; SMN2NPSR1
SCHEMBL21653295 0.82 PFKFB3 (0.55) —
SCHEMBL21652990 0.80 ALDH1A1 (0.40) RAB9AALDH1A1HPGDKDM4EHSD17B10
SCHEMBL21653202 0.79 CNR2 (0.43) ALDH1A1KDM4E
SCHEMBL21653203 0.77 SMN1; SMN2 (0.46) RAB9AALDH1A1HPGDKDM4EHSD17B10

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
WO-2020023657-A1 PYRIDIN-2-ONE COMPOUNDS USEFUL AS SMARCA2 ANTAGONISTS Epizyme, Inc. (US) 2020-01-30 — — WO disclosed
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