SCHEMBL22912307

SCHEMBL22912307

C/C=C1\C=CC(c2cc(C(F)F)nc(SCCCOCc3ccccc3)n2)=CN1Cc1ccc(OC)c(OC)c1

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ CSF1R P07333 2/20 0.33
▸ PDE2A O00408 1/20 0.33
▸ PDE3A Q14432 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ MAPK1 P28482 2/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.31
▸ TSHR P16473 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ MTNR1A P48039 1/20 0.31
▸ MTNR1B P49286 1/20 0.31

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
SCHEMBL22912270 0.79 SMN1; SMN2 (0.34) CSF1RPDE2AMEN1KMT2AMAPK1
SCHEMBL19805996 0.78 SDHB (0.46) PDE2APDE3AMEN1KMT2ATP53
SCHEMBL22912306 0.72 L3MBTL1 (0.35) NPC1RAB9ACSF1RMEN1KMT2A
SCHEMBL28307450 0.69 SDHB (0.39) NPC1RAB9APDE2APDE3AMEN1
SCHEMBL19805988 0.66 SDHB (0.53) PDE2APDE3AMAPK1HSD17B10TP53
SCHEMBL22912212 0.65 SDHB (0.46) PDE2APDE3ATP53MAPT
SCHEMBL22912277 0.64 SDHB (0.48) PDE2APDE3ATP53MAPT
SCHEMBL20985660 0.63 SDHB (0.63) —
SCHEMBL29976635 0.62 TP53 (0.37) PDE2APDE3AMEN1KMT2AMAPK1
SCHEMBL23747248 0.61 TDP1 (0.58) KDM4EMTNR1AMTNR1B

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
EP-3484854-B1 APOPTOSIS INHIBITORS NAT INSTITUTE OF BIOLOGICAL SCIENCES BEIJING (CN) 2021-01-20 — — EP disclosed
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