SCHEMBL28958702

SCHEMBL28958702

O=C(NCc1ccccc1)c1ccc(Cl)o1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 9/20 0.71
SMN1; SMN2 Q16637 3/20 0.71
ALDH1A1 P00352 10/20 0.60
MAPT P10636 2/20 0.60
THRB P10828 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
KDM4E B2RXH2 4/20 0.57
KMT2A Q03164 4/20 0.57
MEN1 O00255 3/20 0.57
LMNA P02545 2/20 0.57
MAPK1 P28482 1/20 0.57
RAB9A P51151 1/20 0.57
HSD17B10 Q99714 1/20 0.57
TP53 P04637 1/20 0.55
HTT P42858 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
POLB P06746 1/20 0.52
GAA P10253 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
SCHEMBL30865487 0.88 HPGD (0.77) HPGDSMN1; SMN2ALDH1A1MAPTKDM4E
SCHEMBL28958701 0.85 HPGD (0.59) HPGDSMN1; SMN2ALDH1A1MAPTTHRB
SCHEMBL28958700 0.84 ALDH1A1 (0.73) HPGDSMN1; SMN2ALDH1A1MAPTTDP1
SCHEMBL430687 0.83 HPGD (1.00) HPGDSMN1; SMN2ALDH1A1MAPTTHRB
SCHEMBL28958730 0.81 NPC1 (0.74) HPGDSMN1; SMN2ALDH1A1MAPTKDM4E
SCHEMBL29944827 0.81 L3MBTL1 (0.57) HPGDSMN1; SMN2ALDH1A1MAPTKDM4E
SCHEMBL28958706 0.80 HPGD (0.75) HPGDSMN1; SMN2ALDH1A1MAPTLMNA
SCHEMBL25046023 0.80 HPGD (0.67) HPGDSMN1; SMN2ALDH1A1MAPTKDM4E
SCHEMBL18511929 0.80 HPGD (0.67) HPGDSMN1; SMN2ALDH1A1MAPTKDM4E
SCHEMBL22289268 0.78 HPGD (0.63) HPGDSMN1; SMN2ALDH1A1MAPTKDM4E

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-115707699-A Anti-osteoporosis compound and application thereof 中国医学科学院医药生物技术研究所 2023-02-21 CN disclosed