SCHEMBL4762702

SCHEMBL4762702

O=C1CC(S(=O)(=O)O)Sc2ccccc2N1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 6/20 0.59
BRD4 O60885 6/20 0.59
HSD17B10 Q99714 4/20 0.57
ALDH1A1 P00352 3/20 0.57
TSHR P16473 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
MAPK1 P28482 2/20 0.52
TP53 P04637 1/20 0.52
GAA P10253 1/20 0.52
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
GSK3B P49841 1/20 0.43
KDM4E B2RXH2 2/20 0.41
GLA P06280 1/20 0.41
USP2 O75604 1/20 0.41
ESR1 P03372 1/20 0.41
POLB P06746 1/20 0.41
THRB P10828 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41

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
SCHEMBL10353037 0.74 BRD4 (0.66) CREBBPBRD4HSD17B10ALDH1A1TSHR
SCHEMBL11069336 0.74 BRD4 (0.66) CREBBPBRD4HSD17B10ALDH1A1TSHR
SCHEMBL8853797 0.74 CREBBP (1.00) CREBBPBRD4HSD17B10ALDH1A1TSHR
SCHEMBL9817819 0.73 ALDH1A1 (1.00) CREBBPBRD4HSD17B10ALDH1A1TSHR
SCHEMBL9629696 0.72 CREBBP (0.71) CREBBPBRD4HSD17B10ALDH1A1TSHR
SCHEMBL8853794 0.71 BRD4 (0.65) CREBBPBRD4HSD17B10ALDH1A1TSHR
SCHEMBL30583054 0.71 HSD17B10 (0.59) CREBBPBRD4HSD17B10ALDH1A1TSHR
SCHEMBL9629698 0.70 CREBBP (0.64) CREBBPBRD4HSD17B10ALDH1A1TSHR
SCHEMBL9602657 0.69 SMN1; SMN2 (0.72) CREBBPBRD4HSD17B10ALDH1A1TSHR
SCHEMBL9287395 0.69 BRD4 (0.57) CREBBPBRD4HSD17B10ALDH1A1TSHR

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
EP-1567520-B1 QUINOLINES AND NITROGENATED DERIVATIVES THEREOF AND THEIR USE AS ANTIBACTERIAL AGENTS GLAXO GROUP LTD (GB) 2008-10-15 EP claimed