SCHEMBL20027767

SCHEMBL20027767

CNNc1cccc(CNC(=O)OC)c1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.53
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ ALDH1A1 P00352 2/20 0.43
▸ HTT P42858 1/20 0.43
▸ MMP13 P45452 1/20 0.43
▸ LMNA P02545 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ IMPDH2 P12268 1/20 0.41
▸ PTPN1 P18031 1/20 0.41

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
SCHEMBL20028695 0.87 TSHR (0.55) TSHRSMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL18630525 0.86 BRD4 (0.53) —
SCHEMBL719300 0.84 TSHR (0.55) TSHRSMN1; SMN2ALDH1A1HTTMAPT
SCHEMBL3895476 0.84 TSHR (0.66) TSHRSMN1; SMN2ALDH1A1HTTMMP13
SCHEMBL27508531 0.81 TSHR (0.51) TSHRSMN1; SMN2HTTLMNAMAPT
SCHEMBL6228914 0.80 LMNA (0.58) TSHRSMN1; SMN2ALDH1A1HTTLMNA
SCHEMBL8750992 0.78 TSHR (0.58) TSHRSMN1; SMN2ALDH1A1HTTMMP13
SCHEMBL8257957 0.78 TSHR (0.58) TSHRSMN1; SMN2ALDH1A1MMP13HPGD
SCHEMBL13450827 0.76 TSHR (0.57) TSHRSMN1; SMN2ALDH1A1HTTMMP13
SCHEMBL13037029 0.76 TSHR (0.57) TSHRSMN1; SMN2ALDH1A1HTTMMP13

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-2018064119-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF BLADE THERAPEUTICS, INC. (US) 2018-04-05 — — WO disclosed
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