SCHEMBL22609452

SCHEMBL22609452

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

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ EPOR P19235 6/20 0.41
▸ ACHE P22303 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ TSHR P16473 2/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ APP P05067 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36

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
SCHEMBL22609556 0.93 EPOR (0.39) EPORACHEALDH1A1NPSR1TSHR
SCHEMBL21070300 0.86 IDO1 (0.43) ACHENPSR1MEN1KMT2A
SCHEMBL22609552 0.81 IDO1 (0.45) MEN1KMT2ALMNASMN1; SMN2
SCHEMBL21069213 0.80 IDO1 (0.43) NPSR1MEN1KMT2A
SCHEMBL21070134 0.79 ALDH1A1 (0.36) EPORALDH1A1SMN1; SMN2KDM4E
SCHEMBL21069389 0.79 ALDH1A1 (0.36) EPORALDH1A1SMN1; SMN2KDM4E
SCHEMBL22771180 0.77 ACKR3 (0.54) ACHEALDH1A1TSHRRECQLAPP
SCHEMBL21070199 0.77 LTA4H (0.39) MEN1KMT2A
SCHEMBL21070298 0.77 ALDH1A1 (0.40) ALDH1A1NPSR1TSHRMEN1KMT2A
SCHEMBL21070657 0.77 ALDH1A1 (0.40) ALDH1A1NPSR1MEN1KMT2ASMN1; SMN2

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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