SCHEMBL7658197

SCHEMBL7658197

O=S(=O)(Cl)c1ccc(-c2ccc(Oc3ccc(-n4ccnc4)cc3)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.53
TSHR P16473 2/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
ADH5 P11766 2/20 0.50
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA9 Q16790 2/20 0.49
NOTUM Q6P988 1/20 0.47
KDM4E B2RXH2 1/20 0.47
USP2 O75604 1/20 0.47
POLB P06746 1/20 0.47
HPGD P15428 1/20 0.47
CYP3A4 P08684 3/20 0.46
CYP2D6 P10635 3/20 0.46
CHRNA7 P36544 1/20 0.46
PSEN1 P49768 1/20 0.46
PSEN2 P49810 1/20 0.46
APH1B Q8WW43 1/20 0.46
NCSTN Q92542 1/20 0.46

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 1.00 ALOX15 (0.53) ALOX15TSHRMEN1KMT2AADH5
SCHEMBL7657342 0.96 CA1 (0.52) ALOX15TSHRCA1CA2CA9
SCHEMBL9594739 0.87 NOTUM (0.61) ALOX15TSHRMEN1KMT2AADH5
Hydrochloric Acid SCHEMBL7658202 0.86 ADH5 (0.51) ALOX15TSHRMEN1KMT2AADH5
Hydrochloric Acid SCHEMBL7650974 0.86 ADH5 (0.51) ALOX15TSHRMEN1KMT2AADH5
SCHEMBL7657456 0.83 CA1 (0.51) ALOX15TSHRADH5CA1CA2
Hydrochloric Acid SCHEMBL7657350 0.82 CA1 (0.52) ALOX15TSHRADH5CA1CA2
SCHEMBL7653307 0.82 KDM4E (0.59) ALOX15TSHRADH5CA1CA2
SCHEMBL10512975 0.82 LMNA (0.62) ALOX15TSHRMEN1KMT2ANOTUM
SCHEMBL7010266 0.81 MEN1 (0.75) ALOX15TSHRMEN1KMT2AADH5

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