SCHEMBL31087166

SCHEMBL31087166

O=C(c1cnccn1)N1CCCCC1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 10/20 0.58
HIF1A Q16665 3/20 0.58
USP2 O75604 3/20 0.58
HSD17B10 Q99714 4/20 0.57
GAA P10253 1/20 0.56
ALDH1A1 P00352 2/20 0.56
HPGD P15428 1/20 0.56
GBA1 P04062 1/20 0.55
CYP2C9 P11712 3/20 0.55
CASP1 P29466 1/20 0.55
CYP2D6 P10635 2/20 0.54
CYP1A2 P05177 2/20 0.52
CYP2C19 P33261 1/20 0.52

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
SCHEMBL12442612 1.00 CYP3A4 (0.58) CYP3A4HIF1AUSP2HSD17B10GAA
SCHEMBL8133145 0.98 CYP3A4 (0.59) CYP3A4HIF1AUSP2HSD17B10GAA
SCHEMBL28254880 0.84 CYP3A4 (0.56) CYP3A4HIF1AUSP2HSD17B10GAA
SCHEMBL27490427 0.83 GAA (0.61) CYP3A4HIF1AUSP2HSD17B10GAA
SCHEMBL4820083 0.83 CYP3A4 (0.55) CYP3A4HIF1AUSP2HSD17B10GAA
SCHEMBL13772554 0.83 CYP3A4 (0.63) CYP3A4HIF1AUSP2HSD17B10GAA
SCHEMBL2217005 0.83 SMN1; SMN2 (0.56) CYP3A4HIF1AUSP2HSD17B10GAA
SCHEMBL4491933 0.81 KDM4E (0.58) CYP3A4HIF1AUSP2HSD17B10GAA
SCHEMBL4491941 0.81 KDM4E (0.58) CYP3A4HIF1AUSP2HSD17B10GAA
SCHEMBL4491936 0.81 KDM4E (0.58) CYP3A4HIF1AUSP2HSD17B10GAA

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-118591545-A Compound for regulating 15-PGDH activity and preparation method thereof 赛诺哈勃药业(成都)有限公司 2024-09-03 CN disclosed