SCHEMBL24869058

SCHEMBL24869058

CC(=O)Nc1cc(F)ccc1C(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RECQL P46063 1/20 0.52
▸ GAA P10253 2/20 0.46
▸ HDAC1 Q13547 3/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ CCNA2 P20248 1/20 0.41
▸ CDK2 P24941 1/20 0.41
▸ CCNA1 P78396 1/20 0.41
▸ HDAC3 O15379 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ NCOR2 Q9Y618 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ DYRK1A Q13627 2/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ PDPK1 O15530 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ MAPT P10636 1/20 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
SCHEMBL2737236 0.86 RECQL (0.56) RECQLGAAHDAC1SMN1; SMN2HDAC3
SCHEMBL24869068 0.85 RECQL (0.55) RECQLSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL11795645 0.81 GAA (0.47) GAAMEN1POLBKMT2ARAB9A
SCHEMBL13773264 0.81 KMT2A (0.50) GAAKMT2A
SCHEMBL10094403 0.81 PARP14 (0.53) RECQLGAASMN1; SMN2RAB9AKDM4E
SCHEMBL520235 0.79 GAA (0.46) GAAHDAC1HDAC3HDAC2POLB
SCHEMBL24869072 0.79 NLRP3 (0.54) RECQLSMN1; SMN2POLBRAB9AALDH1A1
SCHEMBL24869050 0.78 RECQL (0.46) RECQL
SCHEMBL8955980 0.78 SMN1; SMN2 (0.55) GAAHDAC1SMN1; SMN2HDAC3HDAC2
SCHEMBL30748254 0.78 SMN1; SMN2 (0.55) GAAHDAC1SMN1; SMN2HDAC3HDAC2

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-2023279986-A1 SIX-MEMBERED ARYL OR HETEROARYL AMIDES, AND COMPOSITION AND USE THEREOF 贝达药业股份有限公司 2023-01-12 — — WO disclosed
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