SCHEMBL27453308

SCHEMBL27453308

O=C(CCCCN1C(=O)CCC1=O)Nc1ccc(-c2nc3ccccc3s2)o1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.52
▸ HPGD P15428 4/20 0.52
▸ NPC1 O15118 4/20 0.52
▸ RAB9A P51151 4/20 0.52
▸ KDM4E B2RXH2 3/20 0.52
▸ SMN1; SMN2 Q16637 3/20 0.52
▸ TSHR P16473 2/20 0.52
▸ HSD17B10 Q99714 2/20 0.52
▸ TP53 P04637 1/20 0.52
▸ ADRB2 P07550 1/20 0.52
▸ MAPT P10636 7/20 0.46
▸ MEN1 O00255 5/20 0.46
▸ KMT2A Q03164 5/20 0.46
▸ POLB P06746 5/20 0.46
▸ PSMD14 O00487 4/20 0.46
▸ L3MBTL1 Q9Y468 3/20 0.46
▸ PTPN22 Q9Y2R2 3/20 0.46
▸ MCL1 Q07820 2/20 0.46
▸ NPSR1 Q6W5P4 2/20 0.46
▸ APAF1 O14727 1/20 0.46

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
SCHEMBL27453397 0.97 ALDH1A1 (0.52) ALDH1A1HPGDNPC1RAB9AKDM4E
SCHEMBL27451276 0.93 RAB9A (0.54) ALDH1A1HPGDNPC1RAB9AKDM4E
SCHEMBL27453512 0.80 MAPT (0.47) ALDH1A1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL27451123 0.79 RAB9A (0.68) ALDH1A1HPGDNPC1RAB9AKDM4E
SCHEMBL27452421 0.79 MAPT (0.48) ALDH1A1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL27452496 0.78 ADORA2A (0.65) ALDH1A1HPGDNPC1RAB9AKDM4E
SCHEMBL27453518 0.76 RAB9A (0.43) ALDH1A1HPGDNPC1RAB9AKDM4E
SCHEMBL27452420 0.76 HTT (0.55) ALDH1A1HPGDNPC1RAB9AKDM4E
SCHEMBL27451116 0.74 RAB9A (0.77) ALDH1A1HPGDNPC1RAB9AKDM4E
SCHEMBL27452585 0.74 RAB9A (0.58) ALDH1A1HPGDNPC1RAB9AKDM4E

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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