SCHEMBL24869044

SCHEMBL24869044

CC(C)c1ccc(F)cc1NCC#N

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ RECQL P46063 1/20 0.38
▸ CTSL P07711 5/20 0.34
▸ MPO P05164 1/20 0.31
▸ SLC6A4 P31645 1/20 0.31
▸ PTGES2 Q9H7Z7 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ ALOX15 P16050 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30

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
SCHEMBL24869074 0.83 RECQL (0.38) RECQLPTGES2
SCHEMBL24869039 0.78 RECQL (0.44) RECQLSLC6A4
SCHEMBL24869045 0.77 RECQL (0.41) RECQLMPOSLC6A4KDM4EALDH1A1
SCHEMBL24869052 0.77 RECQL (0.38) RECQLMPOSLC6A4
SCHEMBL12859014 0.74 RECQL (0.43) RECQLALDH1A1GAAHSD17B10
SCHEMBL24869051 0.74 FLT3 (0.42) RECQLALDH1A1
SCHEMBL24869050 0.73 RECQL (0.46) RECQL
SCHEMBL9412115 0.72 CTSL (0.40) CTSLKDM4EGAAALOX15
SCHEMBL14577239 0.70 RECQL (0.44) RECQLKDM4EALDH1A1GAA
SCHEMBL10105643 0.69 AR (0.39) RECQL

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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