SCHEMBL9770691

SCHEMBL9770691

O=S(=O)(c1ccccc1)C1CCCc2cccnc21

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.50
HTR6 P50406 3/20 0.40
CXCR4 P61073 5/20 0.39
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
SCN1A P35498 1/20 0.38
SCN5A Q14524 1/20 0.38
SCN8A Q9UQD0 1/20 0.38
AKR1C3 P42330 1/20 0.35
CYP2D6 P10635 2/20 0.35
P2RX7 Q99572 1/20 0.35

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
SCHEMBL9770685 0.79 MAPT (0.46) MAPTHTR6CXCR4ALDH1A1SMN1; SMN2
SCHEMBL9770662 0.72 MCL1 (0.49) MAPTCXCR4ALDH1A1HDAC1HDAC6
SCHEMBL8618844 0.72 ALDH1A1 (0.40) MAPTCXCR4ALDH1A1SMN1; SMN2HDAC1
SCHEMBL3314052 0.71 IGF1R (0.46) CXCR4ALDH1A1HDAC1HDAC6CYP2D6
SCHEMBL2597816 0.70 HDAC1 (0.46) CXCR4ALDH1A1HDAC1HDAC6CYP2D6
SCHEMBL21060838 0.69 MAPT (0.63) MAPTHTR6ALDH1A1SMN1; SMN2
SCHEMBL9934087 0.69 HDAC1 (0.38) CXCR4HDAC1HDAC6SCN1ASCN5A
SCHEMBL23850650 0.68 HDAC1 (0.41) CXCR4HDAC1HDAC6CYP2D6
SCHEMBL12993082 0.68 HDAC1 (0.41) CXCR4HDAC1HDAC6CYP2D6
SCHEMBL24804097 0.68 HDAC1 (0.41) CXCR4HDAC1HDAC6CYP2D6

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-5001131-A Pyridine derivatives JOHN WYETH & BROTHER LIMITED (GB) 1991-03-19 US disclosed