SCHEMBL9817329

SCHEMBL9817329

CCCCCc1cnc(-c2ccc(OC(=O)c3ccc(-c4ncc(CCC)cn4)cc3)cc2)nc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.67
SMN1; SMN2 Q16637 6/20 0.67
RARB P10826 1/20 0.64
THRB P10828 2/20 0.61
NPC1 O15118 4/20 0.51
LMNA P02545 3/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
TP53 P04637 1/20 0.51
KMT2A Q03164 4/20 0.50
NFKB1 P19838 4/20 0.50
NFKB2 Q00653 4/20 0.50
RELA Q04206 4/20 0.50
RAB9A P51151 2/20 0.49
PRSS1 P07477 1/20 0.48
ACR P10323 1/20 0.48
MEN1 O00255 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
SCHEMBL9817770 1.00 MAPT (0.67) MAPTSMN1; SMN2RARBTHRBNPC1
SCHEMBL9817453 0.99 RARB (0.67) MAPTSMN1; SMN2RARBTHRBNPC1
SCHEMBL9817474 0.99 RARB (0.67) MAPTSMN1; SMN2RARBTHRBNPC1
SCHEMBL9817554 0.99 RARB (0.67) MAPTSMN1; SMN2RARBTHRBNPC1
SCHEMBL9817512 0.99 RARB (0.67) MAPTSMN1; SMN2RARBTHRBNPC1
SCHEMBL9817517 0.99 RARB (0.67) MAPTSMN1; SMN2RARBTHRBNPC1
SCHEMBL9817403 0.99 RARB (0.67) MAPTSMN1; SMN2RARBTHRBNPC1
SCHEMBL9817531 0.99 RARB (0.67) MAPTSMN1; SMN2RARBTHRBNPC1
SCHEMBL9817621 0.99 RARB (0.67) MAPTSMN1; SMN2RARBTHRBNPC1
SCHEMBL9817436 0.99 RARB (0.67) MAPTSMN1; SMN2RARBTHRBNPC1

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