SCHEMBL9239161

SCHEMBL9239161

CCCCCCCCCCCCc1cnc(-c2ccc(SC(C)CCCCCC)cc2)nc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 5/20 0.55
RAB9A P51151 7/20 0.52
MAPT P10636 5/20 0.52
SMN1; SMN2 Q16637 5/20 0.52
KDM4E B2RXH2 2/20 0.52
MEN1 O00255 2/20 0.52
ALDH1A1 P00352 2/20 0.52
KMT2A Q03164 2/20 0.52
HSD17B10 Q99714 2/20 0.52
USP2 O75604 1/20 0.52
GAA P10253 1/20 0.52
HPGD P15428 1/20 0.52
NPC1 O15118 5/20 0.41
STAT3 P40763 1/20 0.41
ATM Q13315 1/20 0.41
NFKB1 P19838 2/20 0.39
NFKB2 Q00653 2/20 0.39
RELA Q04206 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
CASP3 P42574 1/20 0.38

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
SCHEMBL9240351 1.00 RARB (0.55) RARBRAB9AMAPTSMN1; SMN2KDM4E
SCHEMBL9236750 1.00 RARB (0.55) RARBRAB9AMAPTSMN1; SMN2KDM4E
SCHEMBL9234326 1.00 RARB (0.55) RARBRAB9AMAPTSMN1; SMN2KDM4E
SCHEMBL9240192 1.00 RARB (0.55) RARBRAB9AMAPTSMN1; SMN2KDM4E
SCHEMBL9234057 1.00 RARB (0.55) RARBRAB9AMAPTSMN1; SMN2KDM4E
SCHEMBL9062231 0.84 RARB (0.58) RARBRAB9AMAPTSMN1; SMN2KDM4E
SCHEMBL9061288 0.84 RARB (0.58) RARBRAB9AMAPTSMN1; SMN2KDM4E
SCHEMBL9061412 0.84 RARB (0.58) RARBRAB9AMAPTSMN1; SMN2KDM4E
SCHEMBL9060702 0.84 RARB (0.58) RARBRAB9AMAPTSMN1; SMN2KDM4E
SCHEMBL9061940 0.84 RARB (0.58) RARBRAB9AMAPTSMN1; SMN2KDM4E

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 4 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
EP-0220297-B1 NITROGEN-CONTAINING HETEROCYCLES MERCK PATENT GmbH (DE) 1991-12-11 EP disclosed
US-4834904-A FERROELECTRIC LIQUID CRYSTALS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1989-05-30 US disclosed