SCHEMBL17896079

SCHEMBL17896079

CCc1nc2c(n1C)CCCc1c-2[nH]c(=O)c(C(=O)O)c1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.35
▸ PKM P14618 1/20 0.34
▸ MAPT P10636 4/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ TSHR P16473 3/20 0.33
▸ KDM4E B2RXH2 6/20 0.33
▸ ALDH1A1 P00352 4/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ POLB P06746 3/20 0.32
▸ USP2 O75604 3/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ HTT P42858 2/20 0.31
▸ MAPK1 P28482 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
SCHEMBL17895832 0.89 USP2 (0.35) LMNAPKMMAPTKDM4EALDH1A1
SCHEMBL17896121 0.88 LMNA (0.34) LMNAPKMMAPTSMN1; SMN2TSHR
SCHEMBL17895978 0.85 LMNA (0.34) LMNAPKMMAPTSMN1; SMN2TSHR
SCHEMBL17895780 0.83 LMNA (0.34) LMNAPKMMAPTSMN1; SMN2TSHR
SCHEMBL17895925 0.81 LMNA (0.33) LMNAPKMMAPTSMN1; SMN2TSHR
SCHEMBL17896005 0.81 KDM4E (0.34) LMNAPKMMAPTSMN1; SMN2TSHR
SCHEMBL17896063 0.81 TSHR (0.35) LMNAPKMMAPTSMN1; SMN2TSHR
SCHEMBL17896071 0.81 ALDH1A1 (0.34) LMNAPKMTSHRKDM4EALDH1A1
SCHEMBL17896017 0.81 LMNA (0.34) LMNAPKMMAPTTSHRKDM4E
SCHEMBL17896153 0.80 LMNA (0.37) LMNAPKMMAPTSMN1; SMN2TSHR

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