SCHEMBL4746942

SCHEMBL4746942

O=C(C=C(c1ccc2c(c1)OCCO2)C(F)(F)F)Nc1nc(-c2ccc(F)cc2)cs1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 12/20 0.59
MAPT P10636 12/20 0.59
LMNA P02545 9/20 0.59
KDM4E B2RXH2 7/20 0.59
KMT2A Q03164 9/20 0.52
MEN1 O00255 8/20 0.52
ALDH1A1 P00352 6/20 0.52
POLB P06746 4/20 0.52
HTT P42858 2/20 0.52
RAB9A P51151 10/20 0.52
NPC1 O15118 9/20 0.52
NFKB1 P19838 3/20 0.52
NFKB2 Q00653 3/20 0.52
RELA Q04206 3/20 0.52
GSTO1 P78417 1/20 0.52
GAA P10253 1/20 0.50
CLK1 P49759 2/20 0.49
TSHR P16473 2/20 0.49
HSD17B10 Q99714 1/20 0.49
MAPK1 P28482 2/20 0.48

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
SCHEMBL4746933 1.00 SMN1; SMN2 (0.59) SMN1; SMN2MAPTLMNAKDM4EKMT2A
SCHEMBL4746937 1.00 SMN1; SMN2 (0.59) SMN1; SMN2MAPTLMNAKDM4EKMT2A
SCHEMBL4787782 0.93 RAB9A (0.59) SMN1; SMN2MAPTLMNAKDM4EKMT2A
SCHEMBL4787776 0.93 RAB9A (0.59) SMN1; SMN2MAPTLMNAKDM4EKMT2A
SCHEMBL4788555 0.90 MAPT (0.55) SMN1; SMN2MAPTLMNAKDM4EKMT2A
SCHEMBL4788558 0.90 MAPT (0.55) SMN1; SMN2MAPTLMNAKDM4EKMT2A
SCHEMBL4788550 0.90 MAPT (0.55) SMN1; SMN2MAPTLMNAKDM4EKMT2A
SCHEMBL4786953 0.87 KMT2A (0.58) SMN1; SMN2MAPTLMNAKDM4EKMT2A
SCHEMBL4786962 0.87 KMT2A (0.58) SMN1; SMN2MAPTLMNAKDM4EKMT2A
SCHEMBL4786960 0.87 KMT2A (0.58) SMN1; SMN2MAPTLMNAKDM4EKMT2A

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