SCHEMBL4750374

SCHEMBL4750374

CCN(CC)S(=O)(=O)c1ccccc1-c1csc(NC(=O)c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.49
LMNA P02545 5/20 0.49
TDP1 Q9NUW8 2/20 0.49
HTT P42858 2/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
MAPK1 P28482 2/20 0.49
SMN1; SMN2 Q16637 5/20 0.48
MEN1 O00255 4/20 0.48
ALDH1A1 P00352 4/20 0.48
KMT2A Q03164 4/20 0.48
KDM4E B2RXH2 2/20 0.48
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
MPL P40238 6/20 0.43
POLB P06746 2/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42

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
SCHEMBL4750375 0.86 KDM4E (0.51) MAPTLMNATDP1HTTRAB9A
SCHEMBL4788788 0.72 SMN1; SMN2 (0.54) MAPTLMNAHTTNPC1RAB9A
SCHEMBL4746914 0.72 SMN1; SMN2 (0.42) MAPTLMNATDP1HTTNPC1
SCHEMBL4749596 0.71 ADORA3 (0.58) MAPTLMNAHTTNPC1RAB9A
SCHEMBL4750033 0.70 KDM4E (0.62) MAPTLMNAHTTNPC1RAB9A
SCHEMBL16318456 0.68 SMN1; SMN2 (0.60) MAPTLMNATDP1HTTNPC1
SCHEMBL3644541 0.67 MEN1 (0.60) MAPTLMNATDP1HTTNPC1
SCHEMBL4749598 0.65 LMNA (0.66) MAPTLMNAHTTRAB9AMAPK1
SCHEMBL12171678 0.64 AR (0.54) MAPTLMNAHTTMAPK1SMN1; SMN2
SCHEMBL4749947 0.64 KDM4E (0.64) MAPTLMNARAB9AMAPK1SMN1; SMN2

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
WO-2008124000-A2 THIAZOLE DERIVATIVES AS ANDROGEN RECEPTOR MODULATOR COMPOUNDS LIGAND PHARMACEUTICALS INCORPORATED (US) 2008-10-16 WO disclosed