SCHEMBL20350982

SCHEMBL20350982

Cc1c(C#N)c(SCCC(=O)O)[nH]c(=O)c1C#N

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.40
▸ UPP1 Q16831 3/20 0.40
▸ KDM4E B2RXH2 6/20 0.40
▸ ATM Q13315 2/20 0.40
▸ ALDH1A1 P00352 6/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ HPGD P15428 3/20 0.38
▸ GLA P06280 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ LMNA P02545 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ ACMSD Q8TDX5 1/20 0.37
▸ GAA P10253 1/20 0.35

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
SCHEMBL26403803 0.78 TSHR (0.67) TSHRUPP1KDM4EALDH1A1KMT2A
SCHEMBL23183509 0.78 MEN1 (0.48) ATMALDH1A1KMT2AHPGDMEN1
SCHEMBL26403864 0.77 KDM4E (0.51) TSHRUPP1KDM4EALDH1A1KMT2A
SCHEMBL26404205 0.73 KDM4E (0.48) TSHRKDM4EALDH1A1KMT2AHPGD
SCHEMBL26403952 0.73 KDM4E (0.54) TSHRKDM4EALDH1A1KMT2AHPGD
SCHEMBL20340095 0.69 KDM4E (0.77) TSHRKDM4EALDH1A1KMT2AHPGD
SCHEMBL26404305 0.68 ALDH1A1 (0.46) TSHRUPP1KDM4EATMALDH1A1
SCHEMBL26404220 0.65 MAPT (0.51) TSHRKDM4EATMALDH1A1KMT2A
SCHEMBL26404209 0.65 KDM4E (0.51) TSHRKDM4EALDH1A1KMT2AHPGD
SCHEMBL26404299 0.65 MAPT (0.51) TSHRKDM4EALDH1A1KMT2AHPGD

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-2018125983-A1 OXOPYRIDINE DERIVATIVES USEFUL AS AMINOCARBOXYMUCONATE SEMIALDEHYDE DECARBOXYLASE (ACMSD) INHIBITORS MITOBRIDGE, INC. (US) 2018-07-05 — — WO disclosed
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