SCHEMBL22912306

SCHEMBL22912306

C/C=C1/C=CC(c2cc(-c3ccccc3F)nc(SC)n2)=CN1Cc1ccc(OC)c(OC)c1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ GPBAR1 Q8TDU6 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ CSF1R P07333 3/20 0.33
▸ LMNA P02545 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ POLB P06746 2/20 0.33
▸ PTGDR Q13258 1/20 0.33
▸ CHRNA7 P36544 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ TSHR P16473 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL19806009 1.00 L3MBTL1 (0.35) L3MBTL1GPBAR1ALDH1A1NPC1HTT
SCHEMBL19806002 0.73 SDHB (0.53) LMNAPTGDR
SCHEMBL22912307 0.72 NPC1 (0.33) ALDH1A1NPC1HTTRAB9ACSF1R
SCHEMBL22912270 0.70 SMN1; SMN2 (0.34) SMN1; SMN2CSF1RLMNAMEN1KMT2A
SCHEMBL28306291 0.68 SDHB (0.41) L3MBTL1ALDH1A1NPC1HTTRAB9A
SCHEMBL29976635 0.63 TP53 (0.37) L3MBTL1ALDH1A1HTTSMN1; SMN2LMNA
SCHEMBL21019858 0.62 KDM4E (0.34) L3MBTL1ALDH1A1HTTLMNAMEN1
SCHEMBL22912302 0.62 SDHB (0.54) ALDH1A1SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL29976590 0.60 SDHB (0.71) —
SCHEMBL20985740 0.60 SDHB (0.71) —

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
EP-3484854-B1 APOPTOSIS INHIBITORS NAT INSTITUTE OF BIOLOGICAL SCIENCES BEIJING (CN) 2021-01-20 — — EP disclosed
WO-2018014802-A1 APOPTOSIS INHIBITORS NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2018-01-25 — — WO disclosed
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