SCHEMBL29658196

SCHEMBL29658196

O=Cc1cc(-c2nc3ccccc3s2)ccc1O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.60
MAPT P10636 7/20 0.60
RAB9A P51151 6/20 0.60
ALDH1A1 P00352 4/20 0.60
SMN1; SMN2 Q16637 4/20 0.60
GLA P06280 3/20 0.60
GAA P10253 3/20 0.60
HPGD P15428 2/20 0.60
PPARG P37231 1/20 0.60
NCOA2 Q15596 1/20 0.60
NCOA1 Q15788 1/20 0.60
ERN1 O75460 2/20 0.59
NPC1 O15118 6/20 0.57
LMNA P02545 2/20 0.57
HSD17B10 Q99714 3/20 0.57
TP53 P04637 2/20 0.57
POLB P06746 2/20 0.57
NFKB1 P19838 2/20 0.57
NFKB2 Q00653 2/20 0.57
RELA Q04206 2/20 0.57

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
SCHEMBL28735235 1.00 KDM4E (0.60) KDM4EMAPTRAB9AALDH1A1SMN1; SMN2
SCHEMBL30466258 0.82 KDM4E (0.69) KDM4EMAPTRAB9AALDH1A1SMN1; SMN2
SCHEMBL12470903 0.82 KDM4E (0.69) KDM4EMAPTRAB9AALDH1A1SMN1; SMN2
SCHEMBL28590372 0.82 KDM4E (0.58) KDM4EMAPTRAB9AALDH1A1SMN1; SMN2
SCHEMBL23723 0.82 KDM4E (0.58) KDM4EMAPTRAB9AALDH1A1SMN1; SMN2
SCHEMBL25288484 0.80 KDM4E (0.71) KDM4EMAPTRAB9AALDH1A1SMN1; SMN2
SCHEMBL12471564 0.78 KDM4E (0.64) KDM4EMAPTRAB9AALDH1A1SMN1; SMN2
SCHEMBL4592655 0.78 KDM4E (0.64) KDM4EMAPTRAB9AALDH1A1SMN1; SMN2
SCHEMBL11193289 0.78 RAB9A (0.66) KDM4EMAPTRAB9AALDH1A1SMN1; SMN2
SCHEMBL8373442 0.78 MAPT (0.68) KDM4EMAPTRAB9AALDH1A1SMN1; SMN2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114478514-B Fluorescent molecular probe with aggregation-induced emission characteristic and preparation method and application thereof 湖南省肿瘤医院 2023-04-18 CN claimed
CN-110172337-B Benzothiazole derivative fluorescent probe and preparation method and application thereof 南京师范大学 2022-09-13 CN claimed
CN-114478514-A Fluorescent molecular probe with aggregation-induced emission characteristic and preparation method and application thereof 湖南省肿瘤医院 2022-05-13 CN claimed
CN-114478514-B Fluorescent molecular probe with aggregation-induced emission characteristic and preparation method and application thereof 湖南省肿瘤医院 2023-04-18 CN disclosed
CN-110172337-B Benzothiazole derivative fluorescent probe and preparation method and application thereof 南京师范大学 2022-09-13 CN disclosed
CN-114478514-A Fluorescent molecular probe with aggregation-induced emission characteristic and preparation method and application thereof 湖南省肿瘤医院 2022-05-13 CN disclosed