SCHEMBL19288463

SCHEMBL19288463

COC(=O)c1ccc(NS(=O)(=O)Cc2ccc(-c3ccc4c(c3)CCO4)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 2/20 0.49
HPGD P15428 3/20 0.47
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
GSK3B P49841 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.42
RAB9A P51151 1/20 0.41
GSK3A P49840 1/20 0.41
PLAU P00749 2/20 0.41
MAPT P10636 1/20 0.40
PKM P14618 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
SCHEMBL15055828 0.87 GAA (0.40) RORCHDAC3HDAC4HDAC1HDAC7
SCHEMBL14886670 0.84 GSK3B (0.52) HPGDHDAC3HDAC1HDAC2HDAC8
SCHEMBL9997230 0.79 ACLY (0.45) HPGDRAB9APKMGAAFFAR1
SCHEMBL15056190 0.79 GSK3B (0.43) RORCHDAC3HDAC4HDAC1HDAC7
SCHEMBL19165774 0.78 HPGD (0.63) RORCHPGDRAB9APLAUMAPT
SCHEMBL19165142 0.78 RORC (0.63) RORCHPGDPLAUCA12CA1
SCHEMBL19165140 0.77 HPGD (0.59) RORCHPGDSMN1; SMN2RAB9APLAU
SCHEMBL19165715 0.77 RORC (0.61) RORCHPGDRAB9APLAUMAPT
SCHEMBL19165143 0.77 HPGD (0.59) RORCHPGDHDAC8SMN1; SMN2RAB9A
SCHEMBL19165139 0.76 RORC (0.58) RORCHPGDRAB9APLAUMAPT

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
EP-2794009-B1 BISARYLSULFONAMIDES USEFUL IN THE TREATMENT OF INFLAMMATION AND CANCER KANCERA AB (SE) 2017-08-30 EP disclosed
US-9174954-B2 3,7-diamino-10H-phenothiazine salts and their use WISTA LABORATORIES LTD. (SG) 2015-11-03 US disclosed