SCHEMBL6475723

SCHEMBL6475723

O=S(=O)(Nc1ccc2c(c1)C(C1CCNCC1)=CCO2)c1cccc(Cl)c1

nearest known ligand 0.80

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.80
KDR P35968 1/20 0.45
AURKB Q96GD4 1/20 0.45
DDB1 Q16531 1/20 0.44
CRBN Q96SW2 1/20 0.44
PGR P06401 8/20 0.44
PKM P14618 1/20 0.44
CCNT1 O60563 1/20 0.43
CDK9 P50750 1/20 0.43
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
BRD4 O60885 1/20 0.40
CASP6 P55212 1/20 0.40

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
SCHEMBL4482936 0.89 HTR6 (0.81) HTR6PKMCCNT1CDK9LMNA
SCHEMBL4480862 0.89 HTR6 (1.00) HTR6DDB1CRBNPKMCCNT1
SCHEMBL4477508 0.89 HTR6 (0.80) HTR6KDRAURKBPGRPKM
Water SCHEMBL4559433 0.88 HTR6 (0.98) HTR6DDB1CRBNPKMCCNT1
Water SCHEMBL4559431 0.88 HTR6 (0.98) HTR6DDB1CRBNPKMCCNT1
SCHEMBL6472087 0.86 HTR6 (0.76) HTR6PGRLMNAMAPT
SCHEMBL6476010 0.83 HTR6 (0.81) HTR6CCNT1CDK9KDM4ELMNA
SCHEMBL3324653 0.80 HTR6 (0.72) HTR6PGRALDH1A1BRD4
SCHEMBL6472057 0.74 PKM (0.45) HTR6KDRAURKBPGRPKM
SCHEMBL5781207 0.71 HTR6 (0.74) HTR6PGRPKMLMNAMAPT

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
WO-2005037830-A1 PIPERIDINYLCHROMEN-6-YLSULFONAMIDE COMPOUNDS AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2005-04-28 WO claimed