SCHEMBL7642811

SCHEMBL7642811

O=S1(=O)N=C(c2cccc(F)c2)c2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.43
KCNA3 P22001 2/20 0.41
MAPT P10636 2/20 0.40
EPAS1 Q99814 2/20 0.40
ALDH1A1 P00352 3/20 0.40
TSHR P16473 1/20 0.39
CA12 O43570 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
PKM P14618 1/20 0.39
KDM4E B2RXH2 2/20 0.38
GAA P10253 2/20 0.38
THRB P10828 1/20 0.38
ALOX15 P16050 1/20 0.38
RECQL P46063 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
POLB P06746 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL28297388 0.82 ALDH1A1 (0.42) KCNA3MAPTALDH1A1TSHRPKM
SCHEMBL7638951 0.81 ALDH1A1 (0.51) KCNA3MAPTEPAS1ALDH1A1TSHR
SCHEMBL7634824 0.81 EPAS1 (0.56) MAOBKCNA3MAPTEPAS1ALDH1A1
SCHEMBL7638472 0.81 GAA (0.48) MAOBKCNA3MAPTEPAS1ALDH1A1
SCHEMBL7640758 0.81 MAOB (0.43) MAOBKCNA3EPAS1ALDH1A1TSHR
SCHEMBL3259136 0.74 NOTUM (0.45) MAPTCA12CA9KDM4E
SCHEMBL30566709 0.74 MAOB (0.36) MAOBKCNA3CA12CA2CA9
SCHEMBL31154056 0.73 ALDH1A1 (0.46) KCNA3MAPTALDH1A1TSHRCA12
SCHEMBL28068111 0.72 GAA (0.56) KCNA3ALDH1A1TSHRPKMGAA
SCHEMBL28619635 0.72 EPAS1 (0.71) MAPTEPAS1ALDH1A1KDM4EGAA

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-6458962-B1 VIRICIDES FOR TREATMENT OF AIDS AND HYDROGENATION OF COMPOUNDS THE UNIVERSITY OF TENNESSEEE RESEARCH CORPORATION 2002-10-01 US disclosed