SCHEMBL25799158

SCHEMBL25799158

C=C(CC)NC(=O)c1cc(/C=C/C(C)(C)O)ccn1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 2/20 0.35
▸ AR P10275 1/20 0.33
▸ KDM1A O60341 2/20 0.33
▸ HDAC1 Q13547 2/20 0.33
▸ HDAC6 Q9UBN7 2/20 0.33
▸ ANO1 Q5XXA6 9/20 0.32
▸ NPC1 O15118 2/20 0.31
▸ RAB9A P51151 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ SMYD3 Q9H7B4 1/20 0.31
▸ LOXL2 Q9Y4K0 1/20 0.31
▸ DDR1 Q08345 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
SCHEMBL25804972 0.82 KDR (0.36) KDRKDM1AHDAC1HDAC6NPC1
SCHEMBL25816056 0.82 KDR (0.38) KDRKDM1AHDAC1HDAC6ANO1
SCHEMBL19556320 0.77 AR (0.47) KDRARKDM1AHDAC1HDAC6
SCHEMBL19556321 0.77 AR (0.47) KDRARKDM1AHDAC1HDAC6
SCHEMBL30112035 0.77 AR (0.47) KDRARKDM1AHDAC1HDAC6
SCHEMBL25799171 0.75 LOXL2 (0.40) ARANO1SMYD3LOXL2
SCHEMBL22627801 0.73 RXFP1 (0.49) NPC1RAB9AMEN1KMT2A
SCHEMBL25797141 0.73 DDR1 (0.49) KDRANO1LOXL2DDR1
SCHEMBL25807049 0.72 SMYD3 (0.43) ANO1NPC1RAB9ASMYD3LOXL2
SCHEMBL22956393 0.71 HDAC3 (0.37) HDAC1HDAC6ANO1MEN1KMT2A

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-3452456-B1 BICYCLIC MODULATORS OF THE INTEGRATED STRESS PATHWAY CALICO LIFE SCIENCES LLC (US) 2023-07-05 — — EP disclosed
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