SCHEMBL29149030

SCHEMBL29149030

COC(=O)c1ccc([C@H]2C[C@H](n3cc(C#N)cn3)CCN2C(=O)O)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.38
▸ TSHR P16473 3/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ GAA P10253 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ HPGD P15428 1/20 0.38
▸ CASP1 P29466 1/20 0.38
▸ CASP7 P55210 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ NAMPT P43490 1/20 0.35
▸ TRPC3 Q13507 1/20 0.33
▸ TRPC6 Q9Y210 1/20 0.33
▸ SMO Q99835 1/20 0.33
▸ MAP3K7 O43318 1/20 0.32
▸ TAB1 Q15750 1/20 0.32
▸ MAPK1 P28482 2/20 0.32
▸ MGLL Q99685 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ NPSR1 Q6W5P4 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
SCHEMBL29149006 0.87 SIGMAR1 (0.39) —
SCHEMBL29213779 0.79 EPHX2 (0.44) ALDH1A1TSHRKDM4EGAAHSD17B10
SCHEMBL29213781 0.79 EPHX2 (0.44) ALDH1A1TSHRKDM4EGAAHSD17B10
SCHEMBL29213768 0.76 ALDH1A1 (0.46) ALDH1A1TSHRKDM4EGAAHSD17B10
SCHEMBL29213871 0.75 ALDH1A1 (0.49) ALDH1A1TSHRKDM4EGAAHSD17B10
SCHEMBL29149063 0.73 ALDH1A1 (0.47) ALDH1A1TSHRKDM4EGAAHSD17B10
SCHEMBL29058225 0.73 ALDH1A1 (0.47) ALDH1A1TSHRKDM4EGAAHSD17B10
SCHEMBL29213782 0.73 ALDH1A1 (0.44) ALDH1A1TSHRKDM4EGAAHSD17B10
SCHEMBL29213835 0.72 TSHR (0.43) ALDH1A1TSHRKDM4EGAAHSD17B10
SCHEMBL16400755 0.71 KDM4E (0.44) ALDH1A1TSHRKDM4EGAAHSD17B10

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
CN-117500499-A Substituted indole compounds and methods of use thereof 奇努克治疗公司 2024-02-02 — — CN disclosed
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