SCHEMBL9817465

SCHEMBL9817465

CCCCCCCCc1cnc(-c2ccc(CCC3CCC(CCCCCCC)CC3)cc2)nc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.59
RAB9A P51151 5/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
GAA P10253 2/20 0.59
MEN1 O00255 2/20 0.59
ALDH1A1 P00352 2/20 0.59
KMT2A Q03164 2/20 0.59
HSD17B10 Q99714 2/20 0.59
KDM4E B2RXH2 1/20 0.59
USP2 O75604 1/20 0.59
HPGD P15428 1/20 0.59
RARB P10826 6/20 0.55
NPC1 O15118 3/20 0.44
STAT3 P40763 1/20 0.44
ATM Q13315 1/20 0.44
RARA P10276 1/20 0.42
MTOR P42345 1/20 0.42
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41

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
SCHEMBL10578109 1.00 MAPT (0.59) MAPTRAB9ASMN1; SMN2GAAMEN1
SCHEMBL10580888 1.00 MAPT (0.59) MAPTRAB9ASMN1; SMN2GAAMEN1
SCHEMBL10340358 1.00 MAPT (0.59) MAPTRAB9ASMN1; SMN2GAAMEN1
SCHEMBL10577803 1.00 MAPT (0.59) MAPTRAB9ASMN1; SMN2GAAMEN1
SCHEMBL10355025 1.00 MAPT (0.59) MAPTRAB9ASMN1; SMN2GAAMEN1
SCHEMBL10340357 1.00 MAPT (0.59) MAPTRAB9ASMN1; SMN2GAAMEN1
SCHEMBL10580891 1.00 MAPT (0.59) MAPTRAB9ASMN1; SMN2GAAMEN1
SCHEMBL10354690 1.00 MAPT (0.59) MAPTRAB9ASMN1; SMN2GAAMEN1
SCHEMBL10354702 1.00 MAPT (0.59) MAPTRAB9ASMN1; SMN2GAAMEN1
SCHEMBL10355026 1.00 MAPT (0.59) MAPTRAB9ASMN1; SMN2GAAMEN1

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 8 patents. 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
EP-0227717-B1 NITROGEN-CONTAINING HETEROCYCLIC ESTERS MERCK PATENT GmbH (DE) 1990-04-25 EP disclosed
EP-0224579-B1 SMECTIC LIQUID CRYSTALLINE PHASES MERCK PATENT GmbH (DE) 1990-01-24 EP disclosed
US-4820839-A LIQUID CRYSTALS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1989-04-11 US disclosed
EP-0227717-A1 NITROGEN-CONTAINING HETEROCYCLIC ESTERS. MERCK PATENT GMBH (DE) 1987-07-08 EP disclosed
EP-0224579-A1 SMECTIC LIQUID CRYSTALLINE PHASES. MERCK PATENT GMBH (DE) 1987-06-10 EP disclosed
WO-1986007055-A1 NITROGEN-CONTAINING HETEROCYCLIC ESTERS MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1986-12-04 WO disclosed
WO-1986007085-A1 SMECTIC LIQUID CRYSTALLINE PHASES MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1986-12-04 WO disclosed