SCHEMBL7657342

SCHEMBL7657342

O=S(=O)(Cl)c1ccc(Oc2ccc(-n3ccnc3)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
CA9 Q16790 2/20 0.52
NOTUM Q6P988 1/20 0.51
KDM4E B2RXH2 1/20 0.49
USP2 O75604 1/20 0.49
POLB P06746 1/20 0.49
HPGD P15428 1/20 0.49
ALOX15 P16050 1/20 0.49
TSHR P16473 1/20 0.49
CYP3A4 P08684 3/20 0.49
CYP2D6 P10635 3/20 0.49
CHRNA7 P36544 1/20 0.49
PSEN1 P49768 1/20 0.49
PSEN2 P49810 1/20 0.49
APH1B Q8WW43 1/20 0.49
NCSTN Q92542 1/20 0.49
APH1A Q96BI3 1/20 0.49
PSENEN Q9NZ42 1/20 0.49
CYP1A2 P05177 2/20 0.49

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
SCHEMBL7650969 0.96 ALOX15 (0.53) CA1CA2CA9NOTUMKDM4E
SCHEMBL7658197 0.96 ALOX15 (0.53) CA1CA2CA9NOTUMKDM4E
SCHEMBL9594739 0.91 NOTUM (0.61) CA1CA2CA9NOTUMALOX15
SCHEMBL7657456 0.87 CA1 (0.51) CA1CA2CA9NOTUMKDM4E
Hydrochloric Acid SCHEMBL7657350 0.85 CA1 (0.52) CA1CA2CA9NOTUMKDM4E
SCHEMBL7653307 0.85 KDM4E (0.59) CA1CA2CA9NOTUMKDM4E
SCHEMBL10512975 0.85 LMNA (0.62) NOTUMALOX15TSHRCYP3A4CYP2D6
Hydrochloric Acid SCHEMBL7650974 0.82 ADH5 (0.51) CA1CA2CA9KDM4EUSP2
Hydrochloric Acid SCHEMBL7658202 0.82 ADH5 (0.51) CA1CA2CA9KDM4EUSP2
SCHEMBL7661979 0.82 NAMPT (0.41) CA1CA2CA9KDM4EUSP2

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
US-6339092-B1 FOR THERAPY RHEUMATOID ARTHRITIS, ARTHROSIS, TUMOUR INVASION AND GROWTH, INCLUDING MALIGNANT SPREAD AND THE FORMATION OF METASTASES, ULCERATIONS, ATHEROSCLEROSIS ADIR ET COMPAGNIE (FR) 2002-01-15 US disclosed