SCHEMBL21381512

SCHEMBL21381512

O=C1[C]=C(O)C(c2ccc(F)cc2)N1c1ccc2c(c1)OCO2

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 1/20 0.44
▸ TP53 P04637 1/20 0.43
▸ ALDH1A1 P00352 4/20 0.42
▸ CMA1 P23946 1/20 0.42
▸ TSHR P16473 2/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ MAPT P10636 3/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ TERT O14746 1/20 0.39

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
SCHEMBL20379397 0.88 CMA1 (0.42) TP53ALDH1A1CMA1TSHRKMT2A
SCHEMBL21381480 0.88 CMA1 (0.42) TP53ALDH1A1CMA1TSHRKMT2A
SCHEMBL21384901 0.88 CMA1 (0.42) ALDH1A1CMA1TSHRKMT2AMEN1
SCHEMBL20379399 0.88 CMA1 (0.42) ALDH1A1CMA1TSHRKMT2AMEN1
SCHEMBL20379080 0.88 CMA1 (0.43) TP53ALDH1A1CMA1TSHRKMT2A
SCHEMBL21381513 0.88 CMA1 (0.39) ALDH1A1CMA1KMT2AMEN1MAPT
SCHEMBL20379057 0.78 CMA1 (0.48) ALDH1A1CMA1TSHRKMT2AMAPT
SCHEMBL20379413 0.76 CMA1 (0.46) ALDH1A1CMA1TSHRKMT2AMEN1
SCHEMBL21381492 0.74 KMT2A (0.41) MGLLTP53ALDH1A1TSHRKMT2A
SCHEMBL20379403 0.74 CMA1 (0.43) ALDH1A1CMA1TSHRKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3568133-B1 CELL-PROTECTIVE COMPOUNDS AND THEIR USE ETH ZUERICH (CH) 2023-12-13 — — EP claimed
EP-3768673-A1 COMPOUNDS FOR TREATING CNS- AND NEURODEGENERATIVE DISEASES ETH Zurich (CH) 2021-01-27 — — EP claimed
WO-2019179890-A1 COMPOUNDS FOR TREATING CNS- AND NEURODEGENERATIVE DISEASES ETH ZURICH (CH) 2019-09-26 — — WO claimed
EP-3768673-A1 COMPOUNDS FOR TREATING CNS- AND NEURODEGENERATIVE DISEASES ETH Zurich (CH) 2021-01-27 — — EP disclosed
WO-2019179890-A1 COMPOUNDS FOR TREATING CNS- AND NEURODEGENERATIVE DISEASES ETH ZURICH (CH) 2019-09-26 — — WO disclosed
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