SCHEMBL11460547

SCHEMBL11460547

CCCCN1CCc2c(cc(O)c(O)c2SC)C(c2ccccc2)C1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD1 P21728 10/20 0.53
▸ DRD2 P14416 8/20 0.53
▸ MAPT P10636 3/20 0.53
▸ MTOR P42345 2/20 0.53
▸ CYP1A2 P05177 2/20 0.53
▸ CYP3A4 P08684 2/20 0.53
▸ CYP2D6 P10635 2/20 0.53
▸ CYP2C9 P11712 2/20 0.53
▸ ALOX15 P16050 2/20 0.53
▸ THPO P40225 2/20 0.53
▸ HIF1A Q16665 2/20 0.53
▸ HSD17B10 Q99714 2/20 0.53
▸ TSHR P16473 1/20 0.53
▸ KDM4E B2RXH2 2/20 0.52
▸ GMNN O75496 2/20 0.52
▸ LMNA P02545 2/20 0.52
▸ BLM P54132 2/20 0.52
▸ PMP22 Q01453 2/20 0.52
▸ NFKB1 P19838 1/20 0.51
▸ GAA P10253 1/20 0.50

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
Bromide SCHEMBL11462466 0.89 DRD1 (0.56) DRD1DRD2MAPTMTORCYP1A2
Bromide SCHEMBL11540315 0.87 DRD1 (0.71) DRD1DRD2MAPTMTORCYP1A2
SCHEMBL11478102 0.85 DRD1 (0.58) DRD1DRD2MAPTMTORCYP1A2
Bromide SCHEMBL11528515 0.84 DRD1 (0.71) DRD1DRD2MAPTMTORCYP1A2
SCHEMBL11476928 0.84 DRD1 (0.74) DRD1DRD2MAPTMTORCYP1A2
SCHEMBL11460656 0.84 DRD1 (0.76) DRD1DRD2MAPTMTORCYP1A2
Bromide SCHEMBL11254711 0.84 DRD1 (0.53) DRD1DRD2MAPTMTORCYP1A2
Bromide SCHEMBL11712496 0.78 KDM4E (0.68) DRD1DRD2MAPTMTORCYP2D6
SCHEMBL11478094 0.75 DRD1 (0.53) DRD1DRD2MAPTMTORCYP1A2
SCHEMBL7318885 0.74 DRD1 (0.74) DRD1DRD2MAPTMTORCYP1A2

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
US-4206210-A PARKINSON'S DISEASE SMITHKLINE CORPORATION (US) 1980-06-03 — — US disclosed
Send feedback