SCHEMBL30713657

SCHEMBL30713657

CC(C)(C)OC(=O)NC1(CCS(C)(=O)=O)CN(C(c2ccccc2)c2ccccc2)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 7/20 0.40
CYP2D6 P10635 6/20 0.40
CYP2C9 P11712 3/20 0.40
CYP2C19 P33261 2/20 0.40
ALOX15 P16050 1/20 0.40
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
HIF1A Q16665 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA7 P43166 1/20 0.37
CA14 Q9ULX7 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CCR5 P51681 1/20 0.37
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP1A2 P05177 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
SCHEMBL30713580 0.88 CYP3A4 (0.39) CYP3A4CYP2D6CYP2C9CYP2C19ALOX15
SCHEMBL30713578 0.87 CYP3A4 (0.43) CYP3A4CYP2D6CYP2C9CYP2C19CTSS
SCHEMBL30713478 0.84 CYP3A4 (0.41) CYP3A4CYP2D6CYP2C9CYP2C19CTSS
SCHEMBL30713496 0.79 CYP3A4 (0.40) CYP3A4CYP2D6CYP2C9CYP2C19CTSS
SCHEMBL3315239 0.78 CYP3A4 (0.47) CYP3A4CYP2D6CYP2C9CYP2C19ALOX15
SCHEMBL7391113 0.73 CYP3A4 (0.44) CYP3A4CYP2D6CYP2C9CYP2C19CTSS
SCHEMBL21640024 0.73 CYP3A4 (0.44) CYP3A4CYP2D6CYP2C9CYP2C19CTSS
SCHEMBL14684169 0.72 CYP3A4 (0.44) CYP3A4CYP2D6CYP2C9CYP2C19CTSS
SCHEMBL30713596 0.71 MEN1 (0.34) CA12CA1CA7CA14MEN1
SCHEMBL3834657 0.69 OPRM1 (0.45) CYP3A4CYP2D6CYP2C9CYP2C19HIF1A

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
EP-4547656-A1 INDAZOLE COMPOUNDS Tyra Biosciences, Inc. (US) 2025-05-07 EP disclosed
WO-2024006897-A1 INDAZOLE COMPOUNDS TYRA BIOSCIENCES, INC. (US) 2024-01-04 WO disclosed