SCHEMBL22609556

SCHEMBL22609556

O=C(O)NCCCCCOCC(F)CN(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ EPOR P19235 5/20 0.39
▸ APP P05067 4/20 0.39
▸ ACHE P22303 1/20 0.37
▸ EPHX2 P34913 1/20 0.37
▸ HDAC3 O15379 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36
▸ NCOR2 Q9Y618 1/20 0.36
▸ TRPV1 Q8NER1 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ TSHR P16473 1/20 0.35

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
SCHEMBL22609452 0.93 EPOR (0.41) EPORAPPACHEALDH1A1NPSR1
SCHEMBL21069213 0.86 IDO1 (0.43) NPSR1
SCHEMBL21070460 0.80 MAOA (0.37) —
SCHEMBL21070300 0.80 IDO1 (0.43) ACHENPSR1
SCHEMBL21070199 0.80 LTA4H (0.39) HDAC3HDAC1HDAC2HDAC8NCOR2
SCHEMBL21070657 0.77 ALDH1A1 (0.40) HDAC3HDAC1HDAC2HDAC8NCOR2
SCHEMBL21070298 0.77 ALDH1A1 (0.40) ALDH1A1NPSR1TSHR
SCHEMBL21069389 0.77 ALDH1A1 (0.36) EPORALDH1A1
SCHEMBL21070134 0.77 ALDH1A1 (0.36) EPORALDH1A1
SCHEMBL25957834 0.75 ALDH1A1 (0.41) ALDH1A1NPSR1

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
EP-3731869-A1 IRAK DEGRADERS AND USES THEREOF Kymera Therapeutics, Inc. (US) 2020-11-04 — — EP disclosed
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