SCHEMBL31628244

SCHEMBL31628244

CC(C)(C)C(=O)NNC(=O)c1ccc2c(c1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)CS2

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NAAA Q02083 5/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ PREP P48147 2/20 0.37
▸ HPGD P15428 1/20 0.36
▸ IDO1 P14902 1/20 0.36
▸ TDO2 P48775 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ POLB P06746 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
SCHEMBL31375556 1.00 NAAA (0.40) NAAASMN1; SMN2NPC1RAB9APREP
SCHEMBL31375607 0.86 NAAA (0.46) NAAASMN1; SMN2PREPIDO1TDO2
SCHEMBL31628107 0.86 LMNA (0.49) NAAANPC1RAB9APREPIDO1
SCHEMBL29796820 0.86 HDAC1 (0.39) SMN1; SMN2NPC1RAB9AHPGDHDAC1
SCHEMBL26962726 0.86 HDAC1 (0.39) SMN1; SMN2NPC1RAB9AHPGDHDAC1
SCHEMBL26961985 0.86 HDAC1 (0.42) SMN1; SMN2NPC1RAB9AHPGDTDP1
SCHEMBL10672051 0.81 NAAA (0.44) NAAASMN1; SMN2PREPIDO1TDO2
SCHEMBL3485068 0.81 NAAA (0.51) NAAAPREPIDO1TDO2
SCHEMBL3484480 0.81 NAAA (0.51) NAAAPREPIDO1TDO2
SCHEMBL3484484 0.81 NAAA (0.51) NAAAPREPIDO1TDO2

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
EP-4568959-A1 BICYCLIC TETRAHYDROTHIAZEPINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2025-06-18 — — EP disclosed
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