SCHEMBL8313600

SCHEMBL8313600

Cc1cc(C)c(NS(=O)(=O)c2cc(I)ccc2O)c(C)c1Nc1ccccn1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 10/20 0.43
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 4/20 0.41
HPGD P15428 2/20 0.41
RXFP1 Q9HBX9 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
BRD3 Q15059 3/20 0.40
CREBBP Q92793 3/20 0.40
BRD7 Q9NPI1 2/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
POLB P06746 1/20 0.39
GLA P06280 1/20 0.38
BAZ2B Q9UIF8 2/20 0.37
SMARCA4 P51532 1/20 0.37
BPTF Q12830 1/20 0.37
KAT2B Q92831 1/20 0.37

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
SCHEMBL14288686 0.78 ACLY (0.51) BRD4ALDH1A1KDM4ERXFP1MEN1
SCHEMBL3842730 0.65 LCK (0.54) ALDH1A1KDM4EMEN1KMT2A
SCHEMBL8067195 0.61 KDM4E (0.71) BRD4ALDH1A1KDM4EMEN1KMT2A
Sulfuric Acid SCHEMBL28870881 0.61 KMT2A (0.59) ALDH1A1KDM4EL3MBTL1MEN1KMT2A
SCHEMBL30416850 0.61 MEN1 (0.57) KDM4ERXFP1L3MBTL1MEN1KMT2A
SCHEMBL20610091 0.61 MEN1 (0.57) KDM4ERXFP1L3MBTL1MEN1KMT2A
SCHEMBL3040658 0.60 KDR (0.52) ALDH1A1KDM4EL3MBTL1MEN1KMT2A
SCHEMBL10242038 0.60 BRD4 (1.00) BRD4ALDH1A1HPGDBRD3CREBBP
SCHEMBL25979896 0.59 ERN1 (0.44) ALDH1A1HPGDL3MBTL1POLB
Iodobenzene SCHEMBL9311593 0.59 TSHR (0.50) ALDH1A1KDM4EHPGDRXFP1MEN1

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-2004073634-A2 PHENYLENEDIAMINE UROTENSIN-II RECEPTOR ANTAGONISTS AND CCR-9 ANTAGONISTS ENCYSIVE PHARMACEUTICALS INC. (US) 2004-09-02 WO disclosed