SCHEMBL10690615

SCHEMBL10690615

Cc1ccccc1S(=O)(=O)OCCn1ccnc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.51
MEN1 O00255 2/20 0.51
MAPK1 P28482 3/20 0.51
ALDH1A1 P00352 3/20 0.51
LMNA P02545 2/20 0.51
ALOX15 P16050 2/20 0.49
HPGD P15428 1/20 0.49
TSHR P16473 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
TBXAS1 P24557 3/20 0.49
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47
POLB P06746 1/20 0.46
CTDSP1 Q9GZU7 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL1464358 0.78 ALDH1A1 (0.57) KMT2AMEN1ALDH1A1LMNATSHR
SCHEMBL28267062 0.76 CYP11B1 (0.47) KMT2AMEN1MAPK1ALDH1A1LMNA
SCHEMBL8654494 0.76 KMT2A (0.45) KMT2AMEN1ALDH1A1SMN1; SMN2POLB
SCHEMBL10690629 0.76 TBXAS1 (0.55) KMT2AMAPK1ALDH1A1ALOX15TBXAS1
SCHEMBL27713433 0.74 KMT2A (0.49) KMT2AMEN1MAPK1ALDH1A1LMNA
SCHEMBL9897914 0.74 ALDH1A1 (0.47) KMT2AMAPK1ALDH1A1ALOX15TSHR
SCHEMBL7619544 0.73 KMT2A (0.43) KMT2AMEN1ALDH1A1LMNASMN1; SMN2
SCHEMBL28469789 0.73 CYP11B1 (0.49) KMT2AMEN1MAPK1ALDH1A1LMNA
SCHEMBL6411427 0.72 KMT2A (0.42) KMT2AMEN1ALDH1A1LMNASMN1; SMN2
SCHEMBL8746193 0.70 GAA (0.48) KMT2AMEN1ALDH1A1HPGDPOLB

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-4732989-A INTERMEDIATES FOR BACTERICIDES G. D. SEARLE & CO. (US) 1988-03-22 US disclosed
US-4661602-A ANTIANAEROBIC AGENTS G. D. SEARLE & CO. (US) 1987-04-28 US disclosed