SCHEMBL28575730

SCHEMBL28575730

C[C@@H]1CCn2c1nc1cc(C(=O)O)ccc12

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.50
HCAR3 P49019 7/20 0.46
LMNA P02545 2/20 0.46
HSD17B10 Q99714 2/20 0.45
TP53 P04637 2/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
GAA P10253 1/20 0.44
NPC1 O15118 1/20 0.43
MITF O75030 1/20 0.43
NFKB1 P19838 1/20 0.43
RAB9A P51151 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL6921295 0.74 ALDH1A1 (0.54) L3MBTL1LMNAGAANPC1RAB9A
SCHEMBL29040744 0.73 HCAR3 (0.40) L3MBTL1HCAR3HSD17B10TP53GAA
SCHEMBL3436674 0.71 TP53 (0.63) LMNATP53MAPT
SCHEMBL23096137 0.71 KDM4E (0.42) LMNAHSD17B10TP53MAPTNPC1
SCHEMBL23269824 0.71 HTR2B (0.56) L3MBTL1HCAR3RAB9A
SCHEMBL3436676 0.69 TP53 (0.67) LMNATP53MAPT
SCHEMBL4258690 0.69 HDAC6 (0.53) L3MBTL1HCAR3HSD17B10HTTGAA
SCHEMBL14382627 0.69 L3MBTL1 (0.73) L3MBTL1HCAR3HSD17B10MAPTHTT
SCHEMBL3436678 0.69 TP53 (0.70) LMNATP53MAPT
SCHEMBL3438305 0.68 L3MBTL1 (0.57) L3MBTL1HCAR3HSD17B10TP53HTT

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-108440534-B Efficient synthesis of beta-chiral bicyclic or polycyclic imidazole derivatives 南开大学 2021-05-28 CN disclosed