SCHEMBL23146242

SCHEMBL23146242

[CH2]c1ccc(C(=O)NCC(C)(C)O)cn1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GABRA5 P31644 2/20 0.46
▸ NAMPT P43490 4/20 0.46
▸ KDM4E B2RXH2 1/20 0.44
▸ RAB9A P51151 2/20 0.40
▸ ADORA2A P29274 1/20 0.40
▸ CYP2C9 P11712 2/20 0.40
▸ MAPK14 Q16539 2/20 0.40
▸ BUB1 O43683 1/20 0.39
▸ PRKACG P22612 1/20 0.39
▸ MAPKAPK2 P49137 1/20 0.39
▸ MAPK11 Q15759 1/20 0.39
▸ ACSL5 Q9ULC5 1/20 0.39
▸ STK24 Q9Y6E0 1/20 0.39
▸ ACSS2 Q9NR19 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ CNR2 P34972 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38

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
SCHEMBL12302074 0.83 KDM4E (0.60) GABRA5NAMPTKDM4ECNR2HDAC1
SCHEMBL20788418 0.82 L3MBTL1 (0.57) RAB9ANPC1SMN1; SMN2
SCHEMBL17796689 0.82 GABRA5 (0.46) GABRA5NAMPTKDM4EADORA2ACYP2C9
SCHEMBL20804091 0.79 GABRA5 (0.44) GABRA5NAMPTKDM4EADORA2AACSS2
SCHEMBL28773428 0.78 POLB (0.50) GABRA5KDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL17298875 0.78 GABRA5 (0.44) GABRA5NAMPTKDM4EADORA2ACYP2C9
SCHEMBL27960102 0.75 BAZ2B (0.56) SMN1; SMN2HDAC1HDAC6
SCHEMBL17499897 0.74 THRB (0.64) RAB9ACYP2C9NPC1SMN1; SMN2HDAC1
SCHEMBL12301890 0.74 NPC1 (0.57) NAMPTKDM4ERAB9ACYP2C9MAPK14
SCHEMBL20788451 0.72 OGG1 (0.53) NAMPTRAB9ANPC1SMN1; SMN2HDAC1

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
WO-2021062089-A1 XANTHINE CB1 INHIBITORS GOLDFINCH BIO, INC. (US) 2021-04-01 — — WO claimed
WO-2021062089-A1 XANTHINE CB1 INHIBITORS GOLDFINCH BIO, INC. (US) 2021-04-01 — — WO disclosed
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