SCHEMBL31035336

SCHEMBL31035336

Cc1cc(Br)c2oc(N(C)C)c(C)c(=O)c2c1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.40
ESR2 Q92731 2/20 0.40
MAOB P27338 4/20 0.35
CSNK2A2 P19784 2/20 0.34
CSNK2B P67870 2/20 0.34
CSNK2A1 P68400 2/20 0.34
MAOA P21397 1/20 0.32
CDK2 P24941 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 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
SCHEMBL31035174 0.79 AKT1 (0.35)
SCHEMBL31035313 0.77 KDM4E (0.36) ESR1ESR2MAOBCSNK2A2CSNK2B
SCHEMBL31035594 0.76 ESR2 (0.39) ESR1ESR2MAOBCSNK2A2CSNK2B
SCHEMBL31035774 0.76 AKT1 (0.37) ESR1ESR2CDK2
SCHEMBL31035360 0.74 ESR1 (0.37) ESR1ESR2MAOBCSNK2A2CSNK2B
SCHEMBL23886990 0.73 ESR1 (0.36) ESR1ESR2MAOBCSNK2A2CSNK2B
SCHEMBL23887150 0.73 ESR1 (0.36) ESR1ESR2MAOBCSNK2A2CSNK2B
SCHEMBL24912965 0.73 ALDH1A1 (0.50) ESR1ESR2MAOBCSNK2A2CSNK2B
SCHEMBL3267026 0.72 ESR2 (0.47) ESR1ESR2MAOBCSNK2A2CSNK2B
SCHEMBL23887133 0.72 AKT1 (0.52) ESR1ESR2

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-4680612-A1 CHEMICAL COMPOUNDS AN2 Therapeutics, Inc. (US) 2026-01-21 EP disclosed
WO-2024192309-A1 CHEMICAL COMPOUNDS REACTIVE BIOSCIENCES, INC. (US) 2024-09-19 WO disclosed