SCHEMBL27453610

SCHEMBL27453610

O=C1CCC(CCC(=O)N[C@H]2CC[C@H](c3nc4ccccc4s3)CC2)N1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ SMN1; SMN2 Q16637 5/20 0.43
▸ LMNA P02545 4/20 0.43
▸ POLB P06746 3/20 0.42
▸ RECQL P46063 2/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ ALDH1A1 P00352 4/20 0.41
▸ GAA P10253 3/20 0.41
▸ HPGD P15428 2/20 0.41
▸ GALR3 O60755 1/20 0.41
▸ MAPT P10636 3/20 0.40
▸ HTT P42858 2/20 0.40
▸ PKM P14618 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ UBE2M P61081 5/20 0.40
▸ DCUN1D1 Q96GG9 5/20 0.40

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
SCHEMBL27453607 1.00 KMT2A (0.44) KMT2AMEN1SMN1; SMN2LMNAPOLB
SCHEMBL24478917 0.77 NPC1 (0.48) SMN1; SMN2LMNAPOLBGAAMAPT
SCHEMBL27453122 0.77 ALDH1A1 (0.47) KMT2AMEN1SMN1; SMN2LMNAPOLB
SCHEMBL27453022 0.77 ALDH1A1 (0.47) KMT2AMEN1SMN1; SMN2LMNAPOLB
SCHEMBL27453121 0.77 ALDH1A1 (0.47) KMT2AMEN1SMN1; SMN2LMNAPOLB
SCHEMBL27451894 0.75 LMNA (0.48) KMT2AMEN1SMN1; SMN2LMNAPOLB
SCHEMBL27451126 0.75 MGLL (0.57) KMT2AMEN1SMN1; SMN2POLBL3MBTL1
SCHEMBL27452949 0.74 SMN1; SMN2 (0.47) KMT2AMEN1SMN1; SMN2LMNAPOLB
SCHEMBL27453517 0.74 LMNA (0.48) KMT2AMEN1SMN1; SMN2LMNAPOLB
SCHEMBL27453518 0.73 RAB9A (0.43) KMT2AMEN1SMN1; SMN2POLBRECQL

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
Send feedback