SCHEMBL20739693

SCHEMBL20739693

CC(=O)c1ccc(SN2CCC(N)(CO)CC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ ALDH1A1 P00352 3/20 0.37
▸ KDM1A O60341 1/20 0.34
▸ MAOB P27338 1/20 0.34
▸ RCOR1 Q9UKL0 1/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ MAPT P10636 3/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ PKM P14618 2/20 0.33
▸ NOS3 P29474 1/20 0.32
▸ NOS1 P29475 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ HSD11B1 P28845 1/20 0.32
▸ ATM Q13315 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
SCHEMBL23384529 0.78 HSD11B1 (0.45) HPGDALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL25629535 0.74 LMNA (0.51) HPGDL3MBTL1LMNAALDH1A1KMT2A
SCHEMBL20722196 0.74 ALDH1A1 (0.62) LMNAALDH1A1KMT2AMAPTNPC1
SCHEMBL20739480 0.73 S1PR1 (0.44) KDM1AMAOBRCOR1HSD11B1
SCHEMBL609169 0.73 CYP1A1 (0.51) HPGDL3MBTL1LMNAALDH1A1MAPT
SCHEMBL12656167 0.69 KDM1A (0.36) HPGDLMNAALDH1A1KDM1AMAOB
SCHEMBL23384398 0.68 ITGB3 (0.46) HPGDALDH1A1KMT2AMEN1
SCHEMBL20739605 0.66 S1PR1 (0.46) HPGDALDH1A1KMT2AMEN1
SCHEMBL23912322 0.65 HPGD (0.42) HPGDL3MBTL1LMNAALDH1A1KMT2A
SCHEMBL20739744 0.65 S1PR1 (0.47) —

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
WO-2019032631-A1 OXIME ETHER COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2019-02-14 — — WO disclosed
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