SCHEMBL10695214

SCHEMBL10695214

Cc1ccc(S(=O)(=O)NCC2CCN(Cc3ccccc3)C2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.62
HDAC4 P56524 2/20 0.62
HDAC1 Q13547 2/20 0.62
HDAC7 Q8WUI4 2/20 0.62
HDAC2 Q92769 2/20 0.62
HDAC10 Q969S8 2/20 0.62
HDAC11 Q96DB2 2/20 0.62
HDAC8 Q9BY41 2/20 0.62
HDAC6 Q9UBN7 2/20 0.62
HDAC9 Q9UKV0 2/20 0.62
HDAC5 Q9UQL6 2/20 0.62
OPRM1 P35372 1/20 0.57
OPRK1 P41145 1/20 0.57
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
HTR6 P50406 1/20 0.56
POLB P06746 2/20 0.55
MAPT P10636 2/20 0.55
CA12 O43570 1/20 0.54
CYP1A2 P05177 1/20 0.54

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
SCHEMBL7848672 0.81 HDAC3 (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8388011 0.81 HTT (0.68) OPRM1OPRK1MEN1KMT2AHTR6
SCHEMBL17072027 0.81 HDAC3 (0.70) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL28644166 0.80 HDAC3 (0.76) HDAC3HDAC4HDAC1HDAC7HDAC2
Hydrochloric Acid SCHEMBL8387376 0.80 HTT (0.67) OPRM1OPRK1MEN1KMT2AHTR6
SCHEMBL8540875 0.80 HTR6 (0.54) OPRM1OPRK1HTR6POLBALDH1A1
SCHEMBL8540877 0.80 HTR6 (0.54) OPRM1OPRK1HTR6POLBALDH1A1
SCHEMBL7782471 0.78 HTR6 (0.53) OPRM1OPRK1HTR6POLBALDH1A1
SCHEMBL19000608 0.78 HTT (0.79) OPRK1MEN1KMT2APOLBMAPT
SCHEMBL18105310 0.78 BCHE (0.73) HDAC3HDAC4HDAC1HDAC7HDAC2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4791118-A BACTERICIDES; GRAMNEGATIVE AND -POSITIVE BACTERIA; ANIMAL INFECTIONS; PLANT DISEASES KYORIN PHARMACEUTICAL CO., LTD. (JP) 1988-12-13 US disclosed
EP-0216323-A2 Quinolonecarboxylic acid derivatives and their preparation KYORIN PHARMACEUTICAL CO., LTD. (JP) 1987-04-01 EP disclosed