SCHEMBL30660606

SCHEMBL30660606

CC(C)(C)OC(=O)Nc1cnn(Cc2cnc(C(=O)O)c(F)c2)c1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SCD O00767 5/20 0.53
▸ HDAC3 O15379 1/20 0.52
▸ HDAC8 Q9BY41 1/20 0.52
▸ NCOR2 Q9Y618 1/20 0.52
▸ AR P10275 2/20 0.45
▸ SCD5 Q86SK9 5/20 0.42
▸ ALDH1A1 P00352 4/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ USP2 O75604 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ HTT P42858 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
SCHEMBL29276688 0.88 HDAC3 (0.49) SCDHDAC3HDAC8NCOR2AR
SCHEMBL29276695 0.86 HDAC3 (0.52) SCDHDAC3HDAC8NCOR2AR
SCHEMBL30660582 0.86 HDAC3 (0.52) SCDHDAC3HDAC8NCOR2AR
SCHEMBL17633200 0.79 SYK (0.43) AR
SCHEMBL30660594 0.76 HDAC3 (0.60) SCDHDAC3HDAC8NCOR2AR
SCHEMBL26969973 0.75 HDAC3 (0.54) SCDHDAC3HDAC8NCOR2AR
SCHEMBL30660584 0.75 HDAC3 (0.59) SCDHDAC3HDAC8NCOR2AR
SCHEMBL29276689 0.75 HDAC3 (0.59) SCDHDAC3HDAC8NCOR2AR
SCHEMBL31319588 0.73 AR (0.56) SCDHDAC3HDAC8NCOR2AR
SCHEMBL31319580 0.73 AR (0.56) SCDHDAC3HDAC8NCOR2AR

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-2023236960-A1 CARBOXAMIDE DERIVATIVE HAVING RSK INHIBITORY EFFECT, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF 上海科恩泰生物医药科技有限公司 2023-12-14 — — WO disclosed
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