SCHEMBL9817554

SCHEMBL9817554

CCCCCCCCc1cnc(-c2ccc(OC(=O)c3ccc(-c4ncc(CCC)cn4)cc3)cc2)nc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 2/20 0.67
MAPT P10636 8/20 0.65
SMN1; SMN2 Q16637 6/20 0.65
THRB P10828 2/20 0.60
NPC1 O15118 4/20 0.52
NFKB1 P19838 4/20 0.52
NFKB2 Q00653 4/20 0.52
RELA Q04206 4/20 0.52
LMNA P02545 3/20 0.52
KMT2A Q03164 4/20 0.50
MEN1 O00255 2/20 0.50
ALDH1A1 P00352 2/20 0.50
HPGD P15428 2/20 0.50
RAB9A P51151 2/20 0.50
KDM4E B2RXH2 1/20 0.50
USP2 O75604 1/20 0.50
GAA P10253 1/20 0.50
HSD17B10 Q99714 1/20 0.50
TP53 P04637 1/20 0.50
CYP1A2 P05177 1/20 0.50

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
SCHEMBL9817769 1.00 RARB (0.67) RARBMAPTSMN1; SMN2THRBNPC1
SCHEMBL9817621 1.00 RARB (0.67) RARBMAPTSMN1; SMN2THRBNPC1
SCHEMBL9817436 1.00 RARB (0.67) RARBMAPTSMN1; SMN2THRBNPC1
SCHEMBL9817517 1.00 RARB (0.67) RARBMAPTSMN1; SMN2THRBNPC1
SCHEMBL9817512 1.00 RARB (0.67) RARBMAPTSMN1; SMN2THRBNPC1
SCHEMBL9817453 1.00 RARB (0.67) RARBMAPTSMN1; SMN2THRBNPC1
SCHEMBL9817474 1.00 RARB (0.67) RARBMAPTSMN1; SMN2THRBNPC1
SCHEMBL9817531 1.00 RARB (0.67) RARBMAPTSMN1; SMN2THRBNPC1
SCHEMBL9817403 1.00 RARB (0.67) RARBMAPTSMN1; SMN2THRBNPC1
SCHEMBL9817770 0.99 MAPT (0.67) RARBMAPTSMN1; SMN2THRBNPC1

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-5055221-A Rapidly switching ferroelectric display element MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1991-10-08 US disclosed