SCHEMBL4746914

SCHEMBL4746914

CCS(=O)(=O)C1Cc2cc(-c3csc(NC(=O)c4ccc([N+](=O)[O-])c(C(F)(F)F)c4)n3)ccc2N1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.42
MAPT P10636 3/20 0.42
LMNA P02545 2/20 0.42
MAPK1 P28482 2/20 0.42
RAF1 P04049 1/20 0.42
ALK Q9UM73 5/20 0.42
ALDH1A1 P00352 4/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
KDM4E B2RXH2 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
POLB P06746 1/20 0.41
MPL P40238 3/20 0.41
ABL1 P00519 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTT P42858 1/20 0.40
RRM1 P23921 1/20 0.40

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
SCHEMBL4788788 0.80 SMN1; SMN2 (0.54) SMN1; SMN2MAPTLMNAMAPK1RAF1
SCHEMBL4750375 0.79 KDM4E (0.51) SMN1; SMN2MAPTLMNAMAPK1RAF1
SCHEMBL4750374 0.72 MAPT (0.49) SMN1; SMN2MAPTLMNAMAPK1RAF1
SCHEMBL16318456 0.65 SMN1; SMN2 (0.60) SMN1; SMN2MAPTLMNAMAPK1RAF1
SCHEMBL18424682 0.64 KDM4E (0.63) SMN1; SMN2MAPTLMNAMAPK1ALDH1A1
SCHEMBL4786387 0.64 LMNA (0.54) SMN1; SMN2MAPTLMNAMAPK1ALDH1A1
SCHEMBL4750453 0.63 KDM4E (0.55) SMN1; SMN2MAPTLMNAMAPK1ALDH1A1
SCHEMBL4750033 0.62 KDM4E (0.62) SMN1; SMN2MAPTLMNAMAPK1ALDH1A1
SCHEMBL1728020 0.62 KMT2A (0.60) SMN1; SMN2MAPTLMNAALDH1A1MEN1
SCHEMBL12171678 0.62 AR (0.54) SMN1; SMN2MAPTLMNAMAPK1ALDH1A1

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 claimed