SCHEMBL8538458

SCHEMBL8538458

CC(=O)NCCNc1ccc(OS(=O)(=O)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.50
MTNR1B P49286 3/20 0.50
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
ALDH1A1 P00352 5/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
GLA P06280 1/20 0.43
MAPT P10636 3/20 0.43
GAA P10253 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CNR1 P21554 1/20 0.41
RECQL P46063 1/20 0.41
LMNA P02545 1/20 0.41
KDM4E B2RXH2 1/20 0.41
USP2 O75604 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 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
Sulfuric Acid SCHEMBL8540368 0.80 KDM4E (0.53) MTNR1AMTNR1BCA1CA2CA9
Sulfuric Acid SCHEMBL11083725 0.78 PKM (0.47) MTNR1AMTNR1BCA1CA2CA9
SCHEMBL6563767 0.78 GAA (0.41) CA1CA2CA9GLAMAPT
Sulfuric Acid SCHEMBL11088015 0.78 MTNR1A (0.55) MTNR1AMTNR1BCA9ALDH1A1SMN1; SMN2
SCHEMBL5023104 0.77 CA1 (0.72) CA1CA2CA9ALDH1A1SMN1; SMN2
SCHEMBL8535693 0.75 KDM4E (0.59) MTNR1AMTNR1BCA1CA2CA9
SCHEMBL171693 0.75 MAPT (0.65) MTNR1AMTNR1BCA9ALDH1A1SMN1; SMN2
SCHEMBL10826205 0.74 MTNR1A (0.50) MTNR1AMTNR1BCA9ALDH1A1SMN1; SMN2
SCHEMBL11843114 0.73 MTNR1A (0.61) MTNR1AMTNR1BCA9ALDH1A1SMN1; SMN2
SCHEMBL19520810 0.72 MTNR1A (0.60) MTNR1AMTNR1BALDH1A1SMN1; SMN2GLA

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-0630642-B1 Naphthol couplers BRISTOL MYERS SQUIBB CO (US) 1998-08-12 EP claimed