SCHEMBL22504986

SCHEMBL22504986

CC(Br)c1oc(=O)c2ccccc2c1-c1cccc(C2CCCN2C(=O)OC(C)(C)C)c1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 13/20 0.42
▸ NR1H3 Q13133 12/20 0.42
▸ RXRA P19793 10/20 0.42
▸ USP30 Q70CQ3 1/20 0.39
▸ RIPK1 Q13546 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ TSHR P16473 1/20 0.38

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
SCHEMBL29641554 1.00 NR1H2 (0.42) NR1H2NR1H3RXRAUSP30RIPK1
SCHEMBL22505045 0.92 NR1H2 (0.41) NR1H2NR1H3RXRAUSP30RIPK1
SCHEMBL29641539 0.92 NR1H2 (0.41) NR1H2NR1H3RXRAUSP30RIPK1
SCHEMBL22498252 0.81 SCD5 (0.40) RIPK1
SCHEMBL22504967 0.79 PIK3CD (0.39) —
SCHEMBL29641506 0.79 PIK3CD (0.39) —
SCHEMBL29641537 0.72 USP30 (0.53) NR1H2NR1H3USP30RIPK1MAPT
SCHEMBL3663950 0.72 USP30 (0.53) NR1H2NR1H3USP30RIPK1MAPT
SCHEMBL22505052 0.72 USP30 (0.53) NR1H2NR1H3USP30RIPK1MAPT
SCHEMBL26926756 0.72 USP30 (0.53) NR1H2NR1H3USP30RIPK1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3947384-B1 ISOCHROMENE DERIVATIVES AS PHOSPHOINOSITIDE 3-KINASES INHIBITORS CHIESI FARM SPA (IT) 2023-11-01 — — EP disclosed
WO-2020200918-A1 ISOCHROMENE DERIVATIVES AS PHOSPHOINOSITIDE 3-KINASES INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2020-10-08 — — WO disclosed
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