SCHEMBL29517929

SCHEMBL29517929

CCOc1ccc(N2C(=O)SC(=Cc3cccs3)C2=O)cc1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 10/20 0.66
▸ KMT2A Q03164 10/20 0.66
▸ POLB P06746 3/20 0.66
▸ NPC1 O15118 3/20 0.66
▸ RAB9A P51151 2/20 0.66
▸ ALDH1A1 P00352 3/20 0.65
▸ SMN1; SMN2 Q16637 2/20 0.65
▸ MAPT P10636 7/20 0.59
▸ L3MBTL1 Q9Y468 2/20 0.59
▸ NPSR1 Q6W5P4 2/20 0.59
▸ PKM P14618 1/20 0.59
▸ IDE P14735 1/20 0.57
▸ MCL1 Q07820 1/20 0.57
▸ GAA P10253 1/20 0.53
▸ TDP1 Q9NUW8 1/20 0.47
▸ KDR P35968 1/20 0.47
▸ MAOA P21397 1/20 0.46
▸ MAOB P27338 1/20 0.46
▸ MAPK1 P28482 1/20 0.46

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
SCHEMBL2987796 0.81 MEN1 (0.77) MEN1KMT2APOLBNPC1RAB9A
SCHEMBL18545493 0.74 TCF4 (0.64) MEN1KMT2APOLBNPC1RAB9A
SCHEMBL12009081 0.74 TCF4 (0.64) MEN1KMT2APOLBNPC1RAB9A
SCHEMBL18545428 0.70 FFAR1 (0.56) MEN1KMT2APOLBNPC1RAB9A
SCHEMBL21783135 0.69 PPARG (0.69) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL28379413 0.69 PPARG (0.69) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL12008945 0.69 KMT2A (0.76) MEN1KMT2APOLBNPC1RAB9A
SCHEMBL3904932 0.68 POLB (0.72) MEN1KMT2APOLBRAB9AALDH1A1
SCHEMBL3904938 0.68 POLB (0.72) MEN1KMT2APOLBRAB9AALDH1A1
SCHEMBL2993239 0.68 MEN1 (1.00) MEN1KMT2APOLBNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022071777-A1 COMPOSITION AND METHOD FOR PREVENTION OR TREATMENT OF RESPIRATORY DISEASE 연세대학교 산학협력단 2022-04-07 — — WO claimed
WO-2022071777-A1 COMPOSITION AND METHOD FOR PREVENTION OR TREATMENT OF RESPIRATORY DISEASE 연세대학교 산학협력단 2022-04-07 — — WO disclosed
Send feedback