SCHEMBL18259088

SCHEMBL18259088

O=C(O)c1ccc(-c2ccc(-c3ncc(C4(C(=O)O)C=CC(c5ccccc5)=CC4)cn3)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
NFKB1 P19838 2/20 0.38
NFKB2 Q00653 2/20 0.38
RELA Q04206 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAP4K4 O95819 1/20 0.38
MKNK1 Q9BUB5 1/20 0.37
MKNK2 Q9HBH9 1/20 0.37
LDHA P00338 1/20 0.35
EGFR P00533 1/20 0.35
EPHX2 P34913 1/20 0.34
NR1H4 Q96RI1 1/20 0.34
IP6K1 Q92551 1/20 0.34
IP6K3 Q96PC2 1/20 0.34
IP6K2 Q9UHH9 1/20 0.34
RARB P10826 1/20 0.34
AXL P30530 2/20 0.34
CAMKK2 Q96RR4 2/20 0.34
SGK1 O00141 1/20 0.34

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
SCHEMBL9199935 0.85 EGFR (0.36) NPC1RAB9ASMN1; SMN2EGFREPHX2
SCHEMBL30159269 0.85 RARA (0.37) NPC1RAB9ASMN1; SMN2LDHAEGFR
SCHEMBL27042598 0.79 HDAC4 (0.37)
SCHEMBL27036929 0.77 POLB (0.32)
SCHEMBL22325605 0.77 POLB (0.32)
SCHEMBL28577983 0.74 DHODH (0.37) IP6K1IP6K3IP6K2
SCHEMBL26627273 0.74 RARB (0.38) MAP4K4EGFRRARBTRIM24TRIM33
SCHEMBL30589358 0.71 GAA (0.36) NPC1RAB9ARARB
SCHEMBL824453 0.69 NPC1 (0.59) NPC1RAB9ANFKB1NFKB2RELA
SCHEMBL27561056 0.69 TP53 (0.36) NPC1RAB9ASMN1; 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
EP-2291703-B1 COLOR LIQUID CRYSTAL DISPLAY AND COMPENSATION PANEL CRYSOPTIX KK (JP) 2016-11-30 EP disclosed