SCHEMBL7651009

SCHEMBL7651009

O=S(=O)(Cl)c1ccc(Sc2ccc(-n3ccnc3)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.51
CYP3A4 P08684 3/20 0.49
CHRNA7 P36544 1/20 0.49
CYP2D6 P10635 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
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
ENPP2 Q13822 1/20 0.47
MKNK1 Q9BUB5 1/20 0.47
MKNK2 Q9HBH9 1/20 0.47
BAZ2B Q9UIF8 1/20 0.45
MEN1 O00255 1/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL9594739 0.91 NOTUM (0.61) NOTUMCYP3A4CHRNA7CYP2D6PSEN1
Hydrochloric Acid SCHEMBL7651017 0.85 ENPP2 (0.49) NOTUMCYP3A4CHRNA7CYP2D6PSEN1
SCHEMBL7657342 0.82 CA1 (0.52) NOTUMCYP3A4CHRNA7CYP2D6PSEN1
SCHEMBL7660151 0.81 CYP1A2 (0.38) LMNAMAPTMEN1KMT2A
SCHEMBL7007424 0.79 CYP3A4 (0.69) NOTUMCYP3A4CYP2D6LMNAMAPT
SCHEMBL7658197 0.78 ALOX15 (0.53) NOTUMCYP3A4CHRNA7CYP2D6PSEN1
SCHEMBL7650969 0.78 ALOX15 (0.53) NOTUMCYP3A4CHRNA7CYP2D6PSEN1
SCHEMBL8779793 0.76 ALDH1A1 (0.52) CYP3A4LMNAMAPTMEN1TSHR
SCHEMBL10423949 0.76 ENPP2 (0.59) NOTUMCYP3A4CHRNA7CYP2D6PSEN1
SCHEMBL4408673 0.76 CHRNA7 (0.76) NOTUMCYP3A4CHRNA7CYP2D6PSEN1

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