SCHEMBL8742507

SCHEMBL8742507

CCCCCCCCCCOc1ccc(-c2nnc(CCCCC)s2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.62
LMNA P02545 2/20 0.62
MAPT P10636 1/20 0.62
KDM4E B2RXH2 5/20 0.55
SMN1; SMN2 Q16637 4/20 0.55
NPC1 O15118 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
XIAP P98170 1/20 0.49
TP53 P04637 1/20 0.47
HSD17B10 Q99714 1/20 0.47
NR5A1 Q13285 1/20 0.46
RARB P10826 3/20 0.46
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
ALDH1A1 P00352 4/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2D6 P10635 1/20 0.45
S1PR4 O95977 1/20 0.45
S1PR1 P21453 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
SCHEMBL8742471 1.00 RAB9A (0.62) RAB9ALMNAMAPTKDM4ESMN1; SMN2
SCHEMBL8742485 1.00 RAB9A (0.62) RAB9ALMNAMAPTKDM4ESMN1; SMN2
SCHEMBL8742454 1.00 RAB9A (0.62) RAB9ALMNAMAPTKDM4ESMN1; SMN2
SCHEMBL8742604 1.00 RAB9A (0.62) RAB9ALMNAMAPTKDM4ESMN1; SMN2
SCHEMBL8742521 1.00 RAB9A (0.62) RAB9ALMNAMAPTKDM4ESMN1; SMN2
SCHEMBL9331485 1.00 RAB9A (0.62) RAB9ALMNAMAPTKDM4ESMN1; SMN2
SCHEMBL8742580 1.00 RAB9A (0.62) RAB9ALMNAMAPTKDM4ESMN1; SMN2
SCHEMBL8742528 1.00 RAB9A (0.62) RAB9ALMNAMAPTKDM4ESMN1; SMN2
SCHEMBL8742529 1.00 RAB9A (0.62) RAB9ALMNAMAPTKDM4ESMN1; SMN2
SCHEMBL8742502 1.00 RAB9A (0.62) RAB9ALMNAMAPTKDM4ESMN1; SMN2

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-0309514-B2 MEDIA CONTAINING DERIVATIVES OF THIAZOLE AND THIADIAZOLE, WITH SMECTIC LIQUID-CRYSTAL PHASE MERCK PATENT GMBH (DE) 1997-10-15 EP disclosed
US-5478496-A Media containing thiazole derivatives and thiadiazole derivatives and having a smectic liquid-crystalline phase MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-12-26 US disclosed
EP-0309514-B1 MEDIA CONTAINING DERIVATIVES OF THIAZOLE AND THIADIAZOLE, WITH SMECTIC LIQUID-CRYSTAL PHASE MERCK PATENT GmbH (DE) 1992-12-02 EP disclosed
EP-0309514-A1 MEDIA CONTAINING DERIVATIVES OF THIAZOLE AND THIADIAZOLE, WITH SMECTIC LIQUID-CRYSTAL PHASE. MERCK PATENT GMBH (DE) 1989-04-05 EP disclosed
WO-1988008019-A1 MEDIA CONTAINING DERIVATIVES OF THIAZOLE AND THIADIAZOLE, WITH SMECTIC LIQUID-CRYSTAL PHASE MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1988-10-20 WO disclosed