SCHEMBL27452864

SCHEMBL27452864

O=C(CCCN1CCCC1=O)NC1CCCCC1c1nc2ccccc2s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.43
▸ TSHR P16473 1/20 0.43
▸ SMN1; SMN2 Q16637 4/20 0.41
▸ LMNA P02545 3/20 0.41
▸ GAA P10253 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ POLB P06746 2/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ UBE2M P61081 3/20 0.39
▸ DCUN1D1 Q96GG9 3/20 0.39
▸ TP53 P04637 2/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ ADORA2A P29274 1/20 0.39
▸ GALR3 O60755 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ DRD2 P14416 1/20 0.39
▸ DRD4 P21917 1/20 0.39

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
SCHEMBL27452836 0.98 ALDH1A1 (0.43) ALDH1A1TSHRSMN1; SMN2LMNAGAA
SCHEMBL27452863 0.88 ALDH1A1 (0.41) ALDH1A1TSHRSMN1; SMN2KMT2APOLB
SCHEMBL27452584 0.86 POLB (0.42) ALDH1A1TSHRSMN1; SMN2LMNAGAA
SCHEMBL27452947 0.77 SMN1; SMN2 (0.42) ALDH1A1SMN1; SMN2LMNAGAAKMT2A
SCHEMBL27452946 0.77 SMN1; SMN2 (0.42) ALDH1A1SMN1; SMN2LMNAGAAKMT2A
SCHEMBL27452837 0.74 HPGD (0.53) ALDH1A1TSHRSMN1; SMN2LMNAKMT2A
SCHEMBL27452781 0.73 RAB9A (0.55) ALDH1A1SMN1; SMN2LMNAGAAKMT2A
SCHEMBL27452581 0.71 POLB (0.45) ALDH1A1TSHRSMN1; SMN2LMNAGAA
SCHEMBL27452650 0.71 POLB (0.45) ALDH1A1TSHRSMN1; SMN2LMNAGAA
SCHEMBL27453122 0.70 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2LMNAGAAKMT2A

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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