SCHEMBL13356972

SCHEMBL13356972

COc1ccc2c(S(=O)(=O)c3ccccc3N)cn(Cc3cc(F)cc(F)c3)c2c1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.48
TP53 P04637 5/20 0.48
THRB P10828 1/20 0.43
RXFP1 Q9HBX9 1/20 0.42
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PLA2G2A P14555 2/20 0.39
MAPT P10636 1/20 0.38
P2RX7 Q99572 2/20 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
SCHEMBL711459 0.85 TP53 (0.49) HTR6TP53THRBRXFP1POLB
SCHEMBL13356746 0.78 SLC6A2 (0.46) HTR6TP53POLBPLA2G2AMAPT
SCHEMBL711445 0.71 PLA2G2A (0.44) THRBPOLBPLA2G2AP2RX7
SCHEMBL709821 0.69 CHRM1 (0.46) TP53SMN1; SMN2PLA2G2A
SCHEMBL711222 0.69 P2RX7 (0.38) HTR6TP53POLBSMN1; SMN2PLA2G2A
SCHEMBL711475 0.69 PLA2G2A (0.39) HTR6TP53POLBSMN1; SMN2PLA2G2A
SCHEMBL710383 0.69 CNR1 (0.45) TP53POLBPLA2G2AP2RX7
SCHEMBL711655 0.69 TP53 (0.38) TP53POLBSMN1; SMN2PLA2G2AP2RX7
SCHEMBL709121 0.68 P2RX7 (0.44) HTR6TP53SMN1; SMN2PLA2G2AMAPT
SCHEMBL4073048 0.68 HTR6 (0.46) HTR6TP53THRBMAPT

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-1585727-B1 INDOLES USEFUL IN THE TREATMENT OF ANDROGEN-RECEPTOR RELATED DISEASES ORGANON NV (NL) 2010-05-26 EP disclosed