SCHEMBL17895985

SCHEMBL17895985

Cn1ncc2c1-c1[nH]c(=O)c(C(=O)O)c(O)c1CCC2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 5/20 0.43
▸ DRD4 P21917 5/20 0.43
▸ SPR P35270 3/20 0.35
▸ USP2 O75604 1/20 0.34
▸ CCNC P24863 1/20 0.33
▸ CDK8 P49336 1/20 0.33
▸ CDK19 Q9BWU1 1/20 0.33
▸ LMNA P02545 2/20 0.32
▸ NLRP3 Q96P20 1/20 0.32
▸ NR3C1 P04150 1/20 0.31
▸ PKM P14618 1/20 0.31
▸ NPC1 O15118 2/20 0.31
▸ MAPT P10636 2/20 0.31
▸ RAB9A P51151 2/20 0.31
▸ PARP1 P09874 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ FEN1 P39748 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
SCHEMBL17895839 0.81 PLK1 (0.47) SPRUSP2LMNAPKMNPC1
SCHEMBL17895939 0.74 PARP1 (0.36) SPRUSP2LMNAPKMMAPT
SCHEMBL17896077 0.73 CYP2C19 (0.44) MAPTRAB9APARP1KDM4EMEN1
SCHEMBL17896114 0.72 HSD11B1 (0.36) SPRUSP2LMNAPKMMAPT
SCHEMBL17895886 0.72 ELANE (0.34) SPRUSP2LMNANPC1MAPT
SCHEMBL17895747 0.71 USP2 (0.33) SPRUSP2LMNAPKMNPC1
SCHEMBL17895874 0.71 LMNA (0.37) SPRUSP2LMNAPKMNPC1
Hydrochloric Acid SCHEMBL17895907 0.71 USP2 (0.32) SPRUSP2LMNANPC1MAPT
SCHEMBL17895823 0.71 LMNA (0.35) SPRUSP2LMNAPKMNPC1
SCHEMBL17896107 0.70 USP2 (0.34) SPRUSP2LMNAPKMNPC1

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-2016109706-A1 FUSED POLYCYCLIC 2-PYRIDINONE ANTIBACTERIAL COMPOUNDS PTC THERAPEUTICS, INC. (US) 2016-07-07 — — WO claimed
WO-2016109706-A1 FUSED POLYCYCLIC 2-PYRIDINONE ANTIBACTERIAL COMPOUNDS PTC THERAPEUTICS, INC. (US) 2016-07-07 — — WO disclosed
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