SCHEMBL8501754

SCHEMBL8501754

N=C(N)Nc1cccc(S(=O)(=O)Nc2cccc(-c3cc(CCC(=O)O)ccc3F)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43
HTR6 P50406 3/20 0.43
MAPT P10636 2/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
NPY1R P25929 1/20 0.42
NPY2R P49146 1/20 0.42
AURKA O14965 2/20 0.41
AURKB Q96GD4 2/20 0.41
PLA2G10 O15496 1/20 0.40
PLA2G2A P14555 1/20 0.40
SLCO1B1 Q9Y6L6 1/20 0.40
HSD17B1 P14061 2/20 0.40
HSD17B2 P37059 2/20 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
SCHEMBL8501758 0.88 HTR6 (0.43) MEN1KMT2AHPGDSMN1; SMN2L3MBTL1
SCHEMBL14532378 0.86 ITGB3 (0.57) MEN1KMT2AHPGDSMN1; SMN2L3MBTL1
SCHEMBL8371139 0.86 ITGB3 (0.57) MEN1KMT2AHPGDSMN1; SMN2L3MBTL1
SCHEMBL8501517 0.84 PFKFB3 (0.46) MEN1KMT2AHPGDSMN1; SMN2L3MBTL1
SCHEMBL7376808 0.84 ALDH1A1 (0.55) MEN1KMT2AITGB3ITGA2BHTR6
SCHEMBL8499992 0.82 MEN1 (0.42) MEN1KMT2AHPGDSMN1; SMN2L3MBTL1
SCHEMBL8500575 0.82 MEN1 (0.42) MEN1KMT2AHPGDSMN1; SMN2L3MBTL1
SCHEMBL8371218 0.80 ITGB3 (0.61) MEN1KMT2AITGB3ITGA2BHTR6
SCHEMBL8496957 0.79 MEN1 (0.43) MEN1KMT2AHPGDSMN1; SMN2L3MBTL1
SCHEMBL6366657 0.77 MAPT (0.46) MEN1KMT2AHPGDSMN1; SMN2L3MBTL1

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