SCHEMBL28910479

SCHEMBL28910479

N#Cc1cccc(C(=S=O)c2nc(-c3cccs3)cc(C(F)(F)F)n2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 10/20 0.44
▸ ALDH1A1 P00352 5/20 0.44
▸ HPGD P15428 5/20 0.44
▸ SDHB P21912 4/20 0.44
▸ HTT P42858 4/20 0.44
▸ MAPK1 P28482 4/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ NPSR1 Q6W5P4 2/20 0.44
▸ TP53 P04637 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ S1PR4 O95977 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ S1PR1 P21453 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ MAPT P10636 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40

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
SCHEMBL28910512 0.81 KDM4E (0.45) KDM4EALDH1A1HPGDSDHBHTT
SCHEMBL28910493 0.78 KDM4E (0.43) KDM4EALDH1A1HPGDSDHBHTT
SCHEMBL28910484 0.74 KDM4E (0.61) KDM4EALDH1A1HPGDSDHBHTT
SCHEMBL19805907 0.72 KDM4E (0.54) KDM4EALDH1A1HPGDSDHBHTT
SCHEMBL31314434 0.69 KDM4E (0.60) KDM4EALDH1A1HPGDSDHBHTT
SCHEMBL19805853 0.69 SDHB (0.43) KDM4EALDH1A1HPGDSDHBHTT
SCHEMBL29976570 0.69 SDHB (0.43) KDM4EALDH1A1HPGDSDHBHTT
SCHEMBL19805733 0.64 KDM4E (0.60) KDM4EALDH1A1HPGDSDHBHTT
SCHEMBL29975611 0.64 KDM4E (0.60) KDM4EALDH1A1HPGDSDHBHTT
SCHEMBL19805734 0.64 KDM4E (0.60) KDM4EALDH1A1HPGDSDHBHTT

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-110023292-B Apoptosis inhibitors 北京生命科学研究所 2022-10-04 — — CN disclosed
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