SCHEMBL9239809

SCHEMBL9239809

CCCCCc1cnc(-c2ccc(OC(=O)[C@@H](C)Cl)cc2)nc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 2/20 0.58
SMN1; SMN2 Q16637 6/20 0.50
MAPT P10636 6/20 0.50
RAB9A P51151 8/20 0.46
HSD17B10 Q99714 3/20 0.46
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 1/20 0.46
USP2 O75604 1/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
KMT2A Q03164 1/20 0.46
NPC1 O15118 6/20 0.45
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43

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
SCHEMBL9239813 1.00 RARB (0.58) RARBSMN1; SMN2MAPTRAB9AHSD17B10
SCHEMBL9235927 0.99 RARB (0.60) RARBSMN1; SMN2MAPTRAB9AHSD17B10
SCHEMBL9238268 0.99 RARB (0.60) RARBSMN1; SMN2MAPTRAB9AHSD17B10
SCHEMBL9239158 0.99 RARB (0.60) RARBSMN1; SMN2MAPTRAB9AHSD17B10
SCHEMBL9240007 0.99 RARB (0.60) RARBSMN1; SMN2MAPTRAB9AHSD17B10
SCHEMBL9236919 0.99 RARB (0.60) RARBSMN1; SMN2MAPTRAB9AHSD17B10
SCHEMBL9238267 0.99 RARB (0.60) RARBSMN1; SMN2MAPTRAB9AHSD17B10
SCHEMBL9239151 0.99 RARB (0.60) RARBSMN1; SMN2MAPTRAB9AHSD17B10
SCHEMBL9235931 0.99 RARB (0.60) RARBSMN1; SMN2MAPTRAB9AHSD17B10
SCHEMBL9240004 0.99 RARB (0.60) RARBSMN1; SMN2MAPTRAB9AHSD17B10

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5389290-A Ferroelectric liquid crystalline materials MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-02-14 US disclosed
US-5089168-A Stable ferroelectric liquid crystals MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1992-02-18 US disclosed