SCHEMBL30173604

SCHEMBL30173604

O=C1NC(=O)C2(COCc3c(F)cccc32)N1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
AKR1B1 P15121 5/20 0.43
BACE1 P56817 1/20 0.42
AKR1A1 P14550 2/20 0.41
AKR1B10 O60218 1/20 0.39
MAPT P10636 1/20 0.39
PDE7A Q13946 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
SCHEMBL23976545 1.00 TSHR (0.44) TSHRTDP1AKR1B1BACE1AKR1A1
SCHEMBL18150985 0.77 TSHR (0.65) TSHRTDP1AKR1B1
SCHEMBL17606364 0.68 TSHR (0.60) TSHRTDP1AKR1B1AKR1A1AKR1B10
SCHEMBL30062196 0.68 TSHR (0.49) TSHRTDP1AKR1B1
SCHEMBL23645194 0.68 KDM4C (0.33) BACE1PDE7A
SCHEMBL30297506 0.67 TSHR (0.55) TSHRTDP1AKR1B1AKR1A1AKR1B10
SCHEMBL10696197 0.67 AKR1B1 (0.50) TSHRTDP1AKR1B1AKR1A1AKR1B10
SCHEMBL17605535 0.67 TSHR (0.59) TSHRTDP1AKR1B1PDE7A
SCHEMBL17606416 0.67 TSHR (0.59) TSHRTDP1AKR1B1PDE7A
SCHEMBL17605411 0.67 TSHR (0.59) TSHRTDP1AKR1B1

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-4143187-A1 COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF HIF2-ALPHA AND THEIR METHODS OF USE Novartis AG (CH) 2023-03-08 EP disclosed