SCHEMBL28910512

SCHEMBL28910512

N#Cc1ccccc1C(=S=O)c1nc(-c2cccs2)cc(C(F)(F)F)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 11/20 0.45
▸ HPGD P15428 6/20 0.45
▸ ALDH1A1 P00352 6/20 0.45
▸ SDHB P21912 4/20 0.45
▸ HTT P42858 4/20 0.45
▸ MAPK1 P28482 4/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ HSD17B10 Q99714 2/20 0.45
▸ NPSR1 Q6W5P4 2/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ S1PR4 O95977 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ TP53 P04637 1/20 0.45
▸ S1PR1 P21453 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ MAPT P10636 2/20 0.42
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 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
SCHEMBL28910479 0.81 KDM4E (0.44) KDM4EHPGDALDH1A1SDHBHTT
SCHEMBL28910493 0.73 KDM4E (0.43) KDM4EHPGDALDH1A1SDHBHTT
SCHEMBL19805904 0.71 MAPT (0.53) KDM4EHPGDALDH1A1SDHBHTT
SCHEMBL28910484 0.71 KDM4E (0.61) KDM4EHPGDALDH1A1SDHBHTT
SCHEMBL29976330 0.70 SDHB (0.65) KDM4EHPGDALDH1A1SDHBHTT
SCHEMBL19805785 0.70 SDHB (0.65) KDM4EHPGDALDH1A1SDHBHTT
SCHEMBL31314434 0.70 KDM4E (0.60) KDM4EHPGDALDH1A1SDHBHTT
SCHEMBL19805812 0.69 SDHB (0.44) KDM4EHPGDALDH1A1SDHBHTT
SCHEMBL29976671 0.69 SDHB (0.44) KDM4EHPGDALDH1A1SDHBHTT
SCHEMBL19805733 0.65 KDM4E (0.60) KDM4EHPGDALDH1A1SDHBHTT

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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