SCHEMBL9435967

SCHEMBL9435967

CCCCCCc1cnc(-c2ccc(C(OC(c3ccc(CCCCC)cc3)c3ccc(-c4ncc(CCCCCC)cn4)cc3)c3ccc(CCCCC)cc3)cc2)nc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.62
RAB9A P51151 4/20 0.62
SMN1; SMN2 Q16637 3/20 0.62
ALDH1A1 P00352 3/20 0.62
HSD17B10 Q99714 3/20 0.62
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
KDM4E B2RXH2 2/20 0.62
USP2 O75604 1/20 0.62
GAA P10253 1/20 0.62
HPGD P15428 1/20 0.62
RARB P10826 6/20 0.58
NPC1 O15118 2/20 0.46
STAT3 P40763 1/20 0.46
ATM Q13315 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
CASP3 P42574 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45

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
SCHEMBL9435606 1.00 MAPT (0.62) MAPTRAB9ASMN1; SMN2ALDH1A1HSD17B10
SCHEMBL9435589 1.00 MAPT (0.62) MAPTRAB9ASMN1; SMN2ALDH1A1HSD17B10
SCHEMBL9435521 1.00 MAPT (0.62) MAPTRAB9ASMN1; SMN2ALDH1A1HSD17B10
SCHEMBL9436058 1.00 MAPT (0.62) MAPTRAB9ASMN1; SMN2ALDH1A1HSD17B10
SCHEMBL9436300 1.00 MAPT (0.62) MAPTRAB9ASMN1; SMN2ALDH1A1HSD17B10
SCHEMBL9436033 1.00 MAPT (0.62) MAPTRAB9ASMN1; SMN2ALDH1A1HSD17B10
SCHEMBL10340674 1.00 MAPT (0.62) MAPTRAB9ASMN1; SMN2ALDH1A1HSD17B10
SCHEMBL9436014 1.00 MAPT (0.62) MAPTRAB9ASMN1; SMN2ALDH1A1HSD17B10
SCHEMBL9436028 1.00 MAPT (0.62) MAPTRAB9ASMN1; SMN2ALDH1A1HSD17B10
SCHEMBL9435692 1.00 MAPT (0.62) MAPTRAB9ASMN1; SMN2ALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0233267-B1 SMECTIC CRYSTAL PHASES MERCK PATENT GMBH (DE) 1994-08-03 EP disclosed
EP-0238576-B1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS MERCK PATENT GmbH (DE) 1992-05-06 EP disclosed
US-5075032-A Electrooptics, switches, displays MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1991-12-24 US disclosed
US-5002694-A Nitrogen-containing heterocyclic compounds MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1991-03-26 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-4886620-A Smectic liquid-crystalline phases MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1989-12-12 US disclosed
EP-0199004-B1 PYRIMIDINE DERIVATIVES MERCK PATENT GmbH (DE) 1989-09-06 EP disclosed
EP-0233267-A1 SMECTIC CRYSTAL PHASES. MERCK PATENT GMBH (DE) 1987-08-26 EP 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-1987001717-A2 SMECTIC CYSTAL PHASES MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1987-03-26 WO disclosed
WO-1986007085-A1 SMECTIC LIQUID CRYSTALLINE PHASES MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1986-12-04 WO disclosed
WO-1986007055-A1 NITROGEN-CONTAINING HETEROCYCLIC ESTERS MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1986-12-04 WO disclosed