SCHEMBL28910484

SCHEMBL28910484

O=S=C(c1ccc(N2CCOCC2)cc1)c1nc(-c2cccs2)cc(C(F)(F)F)n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 11/20 0.61
▸ MAPK1 P28482 3/20 0.61
▸ HSD17B10 Q99714 3/20 0.61
▸ TDP1 Q9NUW8 2/20 0.61
▸ TSHR P16473 1/20 0.61
▸ ALDH1A1 P00352 10/20 0.46
▸ LMNA P02545 2/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ GAA P10253 2/20 0.46
▸ KMT2A Q03164 4/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ RECQL P46063 1/20 0.43
▸ HPGD P15428 6/20 0.42
▸ NPC1 O15118 5/20 0.42
▸ RAB9A P51151 5/20 0.42
▸ NPSR1 Q6W5P4 3/20 0.42
▸ TP53 P04637 3/20 0.42

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
SCHEMBL28910493 0.76 KDM4E (0.43) KDM4EMAPK1HSD17B10TDP1TSHR
SCHEMBL28910479 0.74 KDM4E (0.44) KDM4EMAPK1HSD17B10TDP1TSHR
SCHEMBL28910513 0.74 SDHB (0.68) KDM4EMAPK1HSD17B10TDP1TSHR
SCHEMBL28910482 0.72 KDM4E (0.61) KDM4EMAPK1HSD17B10TDP1TSHR
SCHEMBL28910512 0.71 KDM4E (0.45) KDM4EMAPK1HSD17B10TDP1TSHR
SCHEMBL11000674 0.69 ALDH1A1 (0.61) KDM4EMAPK1HSD17B10TDP1TSHR
SCHEMBL20985732 0.65 KDM4E (0.49) KDM4EMAPK1HSD17B10TDP1TSHR
SCHEMBL31314434 0.65 KDM4E (0.60) KDM4EMAPK1HSD17B10TDP1TSHR
SCHEMBL28580846 0.63 NPC1 (0.69) KDM4EHSD17B10TDP1ALDH1A1LMNA
SCHEMBL19805733 0.62 KDM4E (0.60) KDM4EMAPK1HSD17B10TDP1TSHR

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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