SCHEMBL7657790

SCHEMBL7657790

O=S(=O)(Cl)c1ccc(Oc2ccc(-n3cccn3)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.51
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
MAPT P10636 5/20 0.48
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPK1 P28482 1/20 0.47
POLB P06746 1/20 0.46
SCN9A Q15858 1/20 0.45
TP53 P04637 2/20 0.45
PKM P14618 1/20 0.43
CHRM1 P11229 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
SCHEMBL295953 0.91 NOTUM (0.61) NOTUMKMT2AMEN1MAPTKDM4E
Hydrochloric Acid SCHEMBL7657795 0.85 MAPT (0.47) NOTUMKMT2AMEN1MAPTKDM4E
SCHEMBL7008972 0.80 NOTUM (0.56) NOTUMKMT2AMEN1KDM4EALDH1A1
SCHEMBL5962918 0.79 NOTUM (0.55) NOTUMMAPTKDM4EALDH1A1MAPK1
SCHEMBL14541930 0.78 NOTUM (0.53) NOTUMKMT2AMEN1MAPTKDM4E
SCHEMBL7657600 0.78 ALDH1A1 (0.49) KMT2AMEN1MAPTKDM4EALDH1A1
SCHEMBL9720036 0.76 HTT (0.58) KMT2AMEN1MAPTALDH1A1MAPK1
SCHEMBL433497 0.76 HTT (0.58) KMT2AMEN1MAPTALDH1A1MAPK1
SCHEMBL7657492 0.76 CYP1A2 (0.49) MAPTKDM4EALDH1A1
SCHEMBL3112806 0.76 MAPT (0.57) NOTUMKMT2AMEN1MAPTKDM4E

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