SCHEMBL27451204

SCHEMBL27451204

O=C(NCCN1C(=O)CCC1=O)c1ccc(-c2nc3ccccc3s2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.55
▸ CYP1A2 P05177 1/20 0.55
▸ CYP3A4 P08684 1/20 0.55
▸ GAA P10253 1/20 0.55
▸ CYP2C9 P11712 1/20 0.55
▸ CYP2C19 P33261 1/20 0.55
▸ RAB9A P51151 8/20 0.55
▸ NPC1 O15118 5/20 0.55
▸ SMN1; SMN2 Q16637 5/20 0.55
▸ PKM P14618 1/20 0.55
▸ NPSR1 Q6W5P4 1/20 0.55
▸ MEN1 O00255 2/20 0.54
▸ MMP2 P08253 1/20 0.53
▸ MMP9 P14780 1/20 0.53
▸ MMP8 P22894 1/20 0.53
▸ MMP13 P45452 1/20 0.53
▸ MGAM O43451 8/20 0.50
▸ KDM4E B2RXH2 4/20 0.50
▸ MAPT P10636 4/20 0.50
▸ PPARG P37231 1/20 0.50

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
SCHEMBL27451708 0.94 KMT2A (0.53) KMT2ACYP1A2CYP3A4GAACYP2C9
SCHEMBL27451205 0.81 KMT2A (0.48) KMT2ACYP1A2CYP3A4GAACYP2C9
SCHEMBL27453119 0.80 KMT2A (0.45) KMT2ACYP1A2CYP3A4GAACYP2C9
SCHEMBL27451116 0.79 RAB9A (0.77) KMT2AGAARAB9ANPC1SMN1; SMN2
SCHEMBL27452585 0.78 RAB9A (0.58) KMT2ACYP1A2CYP3A4GAACYP2C9
SCHEMBL27451123 0.77 RAB9A (0.68) KMT2AGAARAB9ANPC1SMN1; SMN2
SCHEMBL27451288 0.76 KMT2A (0.57) KMT2ACYP1A2CYP3A4GAACYP2C9
SCHEMBL28608538 0.75 MMP2 (0.69) KMT2ACYP1A2CYP3A4GAACYP2C9
SCHEMBL31472989 0.75 MMP2 (0.69) KMT2ACYP1A2CYP3A4GAACYP2C9
SCHEMBL27451960 0.75 PAX8 (0.54) KMT2ACYP3A4GAARAB9ANPC1

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-2024145662-A1 2-SUBSTITUTED THIAZOLE AND BENZOTHIAZOLE COMPOSITIONS AND METHODS AS DUX4 INHIBITORS ALTAY THERAPEUTICS, INC. (US) 2024-07-04 — — WO disclosed
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