SCHEMBL8501517

SCHEMBL8501517

N=C(N)Nc1cccc(S(=O)(=O)Nc2cccc(-c3cc(F)ccc3CCC(=O)O)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PFKFB3 Q16875 4/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HPGD P15428 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
THRB P10828 1/20 0.43
MAPT P10636 2/20 0.42
AURKA O14965 2/20 0.40
AURKB Q96GD4 2/20 0.40
IDH2 P48735 1/20 0.40
HSD17B1 P14061 1/20 0.40
HSD17B2 P37059 1/20 0.40
KCNA5 P22460 1/20 0.40
KCNH2 Q12809 1/20 0.40
FABP1 P07148 1/20 0.39
TRIM24 O15164 1/20 0.39
LMNA P02545 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39

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
SCHEMBL8501524 0.88 PFKFB3 (0.47) PFKFB3MEN1KMT2ASMN1; SMN2HPGD
SCHEMBL8500575 0.85 MEN1 (0.42) PFKFB3MEN1KMT2ASMN1; SMN2HPGD
SCHEMBL8501754 0.84 MEN1 (0.44) PFKFB3MEN1KMT2ASMN1; SMN2HPGD
SCHEMBL8499992 0.81 MEN1 (0.42) PFKFB3MEN1KMT2ASMN1; SMN2HPGD
SCHEMBL8496957 0.80 MEN1 (0.43) PFKFB3MEN1KMT2ASMN1; SMN2HPGD
SCHEMBL6366657 0.80 MAPT (0.46) MEN1KMT2ASMN1; SMN2HPGDL3MBTL1
SCHEMBL8371139 0.79 ITGB3 (0.57) MEN1KMT2ASMN1; SMN2HPGDL3MBTL1
SCHEMBL14532378 0.79 ITGB3 (0.57) MEN1KMT2ASMN1; SMN2HPGDL3MBTL1
SCHEMBL7376447 0.78 MAPT (0.47) MEN1KMT2AHPGDMAPTLMNA
SCHEMBL7376808 0.77 ALDH1A1 (0.55) MEN1KMT2AMAPTLMNAHDAC4

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-0889877-A1 META-SUBSTITUTED PHENYLENE DERIVATIVES AND THEIR USE AS ALPHAvBETA3 INTEGRIN ANTAGONISTS OR INHIBITORS G.D. SEARLE & CO. (US) 1999-01-13 EP claimed
WO-1997036862-A1 META-SUBSTITUTED PHENYLENE DERIVATIVES AND THEIR USE AS ALPHAvBETA3 INTEGRIN ANTAGONISTS OR INHIBITORS G.D. SEARLE & CO. (US) 1997-10-09 WO claimed