SCHEMBL28488653

SCHEMBL28488653

NC(=O)Oc1cncc(N2CCCC2=O)c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP11B2 P19099 3/20 0.51
▸ ALDH1A1 P00352 5/20 0.46
▸ HPGD P15428 4/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ CCR6 P51684 1/20 0.41
▸ GAA P10253 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ LRRK2 Q5S007 1/20 0.39
▸ CYP11B1 P15538 1/20 0.39

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
SCHEMBL30281248 0.79 CYP11B2 (0.54) CYP11B2ALDH1A1HPGDCYP1A2CYP3A4
SCHEMBL28482762 0.77 CYP11B2 (0.49) CYP11B2MEN1KMT2A
SCHEMBL21001234 0.77 ALDH1A1 (0.55) ALDH1A1HPGDNPC1MAPTSMN1; SMN2
SCHEMBL22573887 0.76 CYP11B2 (0.50) CYP11B2ALDH1A1HPGDCYP1A2CYP3A4
SCHEMBL30919616 0.76 CYP11B2 (0.50) CYP11B2ALDH1A1HPGDCYP1A2CYP3A4
SCHEMBL30281205 0.76 ALDH1A1 (0.61) CYP11B2ALDH1A1HPGDCYP1A2CYP3A4
SCHEMBL21816208 0.76 ALDH1A1 (0.61) CYP11B2ALDH1A1HPGDCYP1A2CYP3A4
SCHEMBL3377698 0.72 NPC1 (0.57) CYP11B2ALDH1A1HPGDCYP1A2CYP3A4
SCHEMBL31745141 0.72 CYP11B2 (0.47) CYP11B2ALDH1A1HPGDCYP1A2CYP3A4
SCHEMBL20153317 0.72 LMNA (0.48) CYP11B2ALDH1A1HPGDCYP1A2CYP3A4

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
CN-111936484-A Chromenopyridine derivatives as inhibitors of phosphatidylinositol phosphokinase 拉文纳制药公司 2020-11-13 — — CN disclosed
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