SCHEMBL4873337

SCHEMBL4873337

O=C(Nc1ccc(-c2cc(-c3c(Cl)cccc3Cl)on2)cc1)C(Cl)Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.51
ALDH1A1 P00352 3/20 0.49
KDM4E B2RXH2 1/20 0.49
POLB P06746 1/20 0.49
MAPK1 P28482 1/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
CSGALNACT1 Q8TDX6 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
PTGS2 P35354 1/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
PDK1 Q15118 2/20 0.40
SMO Q99835 1/20 0.39
ACR P10323 1/20 0.39
JAK3 P52333 1/20 0.39
CNR1 P21554 1/20 0.39
KDR P35968 1/20 0.39

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
SCHEMBL4869419 0.91 MAPT (0.60) MAPTALDH1A1KDM4EPOLBMAPK1
SCHEMBL4873849 0.89 MAPT (0.61) MAPTALDH1A1KDM4EPOLBMAPK1
SCHEMBL5150469 0.82 MAPT (0.75) MAPTALDH1A1KDM4EPOLBMAPK1
SCHEMBL4872988 0.82 CYP1A2 (0.54) MAPTALDH1A1KDM4EPOLBMAPK1
SCHEMBL5693625 0.81 RAB9A (0.45) MAPTALDH1A1KDM4EPOLBMAPK1
SCHEMBL5182393 0.80 MAPT (0.65) MAPTALDH1A1KDM4EPOLBMAPK1
SCHEMBL4869583 0.80 MAPT (0.45) MAPTALDH1A1KDM4EPOLBMAPK1
SCHEMBL3798740 0.80 MAPT (0.58) MAPTALDH1A1KDM4EPOLBMAPK1
SCHEMBL5150504 0.79 MAPT (0.52) MAPTALDH1A1KDM4EPOLBMAPK1
SCHEMBL5150494 0.79 MAPT (0.66) MAPTALDH1A1KDM4EPOLBMAPK1

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-7326790-B2 Diphenylisoxazole compounds and hydro isomers thereof RIGEL PHARMACEUTICALS, INC. (US) 2008-02-05 US claimed