SCHEMBL23721040

SCHEMBL23721040

C=C(/C=C\C=C(/C)c1nnco1)NC(=O)c1cc(Br)ccn1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ NPC1 O15118 2/20 0.31
▸ OPRK1 P41145 2/20 0.31
▸ RAB9A P51151 2/20 0.31
▸ GRM5 P41594 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ AGTR1 P30556 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
SCHEMBL14809955 0.63 KDM4E (0.61) KDM4EALDH1A1SMN1; SMN2GRM5
SCHEMBL13188319 0.62 KDM4E (0.66) KDM4EALDH1A1SMN1; SMN2NPC1OPRK1
SCHEMBL947645 0.61 LCLAT1 (0.48) KDM4EGRM5MEN1KMT2A
SCHEMBL23720730 0.61 MAP3K5 (0.36) —
SCHEMBL5700127 0.61 ALDH1A1 (0.57) KDM4EALDH1A1SMN1; SMN2NPC1OPRK1
SCHEMBL5700497 0.61 ALDH1A1 (0.68) KDM4EALDH1A1SMN1; SMN2NPC1OPRK1
SCHEMBL29478760 0.61 ALDH1A1 (0.68) KDM4EALDH1A1SMN1; SMN2NPC1OPRK1
SCHEMBL29679606 0.60 ALDH1A1 (0.61) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL1505656 0.60 ALDH1A1 (0.61) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL15104865 0.57 L3MBTL1 (0.56) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A

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-3858824-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS Gilead Sciences, Inc. (US) 2021-08-04 — — EP disclosed
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