SCHEMBL29134891

SCHEMBL29134891

COC(=O)NC1COc2cc(Br)cc(F)c21

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 2/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ FPR1 P21462 2/20 0.31
▸ FPR2 P25090 1/20 0.31
▸ FFAR1 O14842 3/20 0.31
▸ MTNR1A P48039 1/20 0.31
▸ P2RX7 Q99572 2/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.30
▸ L3MBTL1 Q9Y468 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
SCHEMBL29134906 0.86 MTNR1A (0.37) RIPK1FPR2MTNR1AP2RX7
SCHEMBL29134323 0.84 MALT1 (0.36) KMT2AMTNR1A
SCHEMBL29134330 0.76 KMT2A (0.40) KMT2AFFAR1NPSR1L3MBTL1
SCHEMBL30016207 0.76 KMT2A (0.40) KMT2AFFAR1NPSR1L3MBTL1
SCHEMBL29134815 0.76 CA2 (0.32) —
SCHEMBL30015645 0.76 KMT2A (0.40) KMT2AFFAR1NPSR1L3MBTL1
SCHEMBL31120659 0.70 — —
SCHEMBL31187873 0.69 GAA (0.43) —
SCHEMBL31278084 0.68 ALDH1A1 (0.46) RIPK1
SCHEMBL31120631 0.67 KDM1A (0.35) —

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4313967-A1 KHK INHIBITORS GILEAD SCIENCES, INC. (US) 2024-02-07 — — EP disclosed
CN-117120429-A KHK inhibitor 吉利德科学公司 2023-11-24 — — CN disclosed
WO-2022212194-A1 KHK INHIBITORS GILEAD SCIENCES, INC. (US) 2022-10-06 — — WO disclosed
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