SCHEMBL20123617

SCHEMBL20123617

Fc1ccc2c(c1)CSc1c(Br)cccc1C2

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 1/20 0.32
USP2 O75604 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA4 P22748 1/20 0.30
CA6 P23280 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
SCHEMBL20014568 0.84 NOTUM (0.39) HSD17B3CA1CA2CA4CA6
SCHEMBL20123586 0.82 MEN1 (0.33) HSD17B3CA1CA2CA4CA6
SCHEMBL20123720 0.76 NOTUM (0.37) HSD17B3CA1CA2CA4CA6
SCHEMBL20123554 0.74 HSD17B3 (0.43) HSD17B3CA1CA2CA4CA6
SCHEMBL12997790 0.72 SLC6A2 (0.32)
SCHEMBL6907006 0.70 CA1 (0.44) CA1CA2CA4CA6
SCHEMBL20015254 0.70 NOTUM (0.37) HSD17B3CA1CA2CA4CA6
SCHEMBL20014486 0.69 HSD17B3 (0.50) HSD17B3CA1CA2CA4CA6
SCHEMBL20123579 0.69 HSD17B3 (0.47) HSD17B3CA1CA2CA4CA6
SCHEMBL20014809 0.69 ADRA2A (0.33)

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-2620436-B1 SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE PRODRUG SHIONOGI & CO (JP) 2018-05-09 EP disclosed