SCHEMBL10355367

SCHEMBL10355367

CCCCCc1cnc(-c2ccc(CCC3CCC(CCCCC)CC3)cc2)nc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.57
MAPT P10636 5/20 0.57
SMN1; SMN2 Q16637 4/20 0.57
GAA P10253 2/20 0.57
MEN1 O00255 2/20 0.57
ALDH1A1 P00352 2/20 0.57
KMT2A Q03164 2/20 0.57
KDM4E B2RXH2 1/20 0.57
USP2 O75604 1/20 0.57
HPGD P15428 1/20 0.57
HSD17B10 Q99714 1/20 0.57
RARB P10826 6/20 0.53
NPC1 O15118 4/20 0.42
NFKB1 P19838 2/20 0.42
NFKB2 Q00653 2/20 0.42
RELA Q04206 2/20 0.42
STAT3 P40763 1/20 0.42
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
CASP3 P42574 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
SCHEMBL10355024 1.00 RAB9A (0.57) RAB9AMAPTSMN1; SMN2GAAMEN1
SCHEMBL10355366 1.00 RAB9A (0.57) RAB9AMAPTSMN1; SMN2GAAMEN1
SCHEMBL10355025 0.99 MAPT (0.59) RAB9AMAPTSMN1; SMN2GAAMEN1
SCHEMBL10577803 0.99 MAPT (0.59) RAB9AMAPTSMN1; SMN2GAAMEN1
SCHEMBL10354702 0.99 MAPT (0.59) RAB9AMAPTSMN1; SMN2GAAMEN1
SCHEMBL10340357 0.99 MAPT (0.59) RAB9AMAPTSMN1; SMN2GAAMEN1
SCHEMBL10580891 0.99 MAPT (0.59) RAB9AMAPTSMN1; SMN2GAAMEN1
SCHEMBL10354690 0.99 MAPT (0.59) RAB9AMAPTSMN1; SMN2GAAMEN1
SCHEMBL10340358 0.99 MAPT (0.59) RAB9AMAPTSMN1; SMN2GAAMEN1
SCHEMBL9817465 0.99 MAPT (0.59) RAB9AMAPTSMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0152808-B1 NITROGEN CONTAINING HETEROCYCLES MERCK PATENT GmbH (DE) 1990-09-12 EP disclosed
US-4882082-A PYRIMIDINE DERIVATIVE LIQUID CRYSTALS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1989-11-21 US disclosed
EP-0283490-A1 PROCESS FOR THE PRODUCTION OF ETHANE DERIVATIVES. MERCK PATENT GMBH (DE) 1988-09-28 EP disclosed
US-4752414-A LIQUID CRYSTAL PHASES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1988-06-21 US disclosed
WO-1988002364-A2 PROCESS FOR THE PRODUCTION OF ETHANE DERIVATIVES MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1988-04-07 WO disclosed