SCHEMBL6131669

SCHEMBL6131669

CC(C)(C)c1ccc(N(c2ccc(-c3ccc(N)cc3)cc2)c2ccc(C(C)(C)C)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.52
NPC1 O15118 6/20 0.52
RAB9A P51151 6/20 0.52
MAPT P10636 3/20 0.52
MAPK1 P28482 3/20 0.52
HPGD P15428 1/20 0.52
CYP3A4 P08684 5/20 0.48
TDP1 Q9NUW8 4/20 0.48
KDM4E B2RXH2 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2C19 P33261 2/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
KIF11 P52732 5/20 0.47
TP53 P04637 4/20 0.44
GFER P55789 2/20 0.42
PSMD14 O00487 1/20 0.42
TSHR P16473 1/20 0.42
RECQL P46063 1/20 0.42

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
SCHEMBL27269589 0.94 RAB9A (0.57) ALDH1A1NPC1RAB9AMAPTMAPK1
SCHEMBL16343998 0.89 KIF11 (0.54) ALDH1A1NPC1RAB9AHPGDKDM4E
SCHEMBL8642413 0.89 KIF11 (0.54) ALDH1A1NPC1RAB9AHPGDKDM4E
SCHEMBL12951069 0.89 KIF11 (0.54) ALDH1A1NPC1RAB9AHPGDKDM4E
SCHEMBL22539620 0.87 NPC1 (0.64) ALDH1A1NPC1RAB9AMAPTMAPK1
SCHEMBL2655921 0.87 NPC1 (0.64) ALDH1A1NPC1RAB9AMAPTMAPK1
SCHEMBL15449460 0.87 NPC1 (0.41) ALDH1A1NPC1RAB9AMAPTMAPK1
SCHEMBL12337352 0.86 ALDH1A1 (0.69) ALDH1A1NPC1RAB9AMAPTMAPK1
SCHEMBL15449177 0.85 NPC1 (0.42) ALDH1A1NPC1RAB9AMAPTMAPK1
SCHEMBL14163841 0.82 TSHR (0.52) ALDH1A1NPC1RAB9AMAPTMAPK1

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-6956095-B2 Process for producing aryl—aryl coupled compounds COVION ORGANIC SEMICONDUCTORS GMBH (DE) 2005-10-18 US disclosed
EP-1381639-A1 CONJUGATED POLYMERS CONTAINING SPIROBIFLUORENE UNITS AND FLUORENE UNITS, AND THE USE THEREOF Covion Organic Semiconductors GmbH (DE) 2004-01-21 EP disclosed
WO-2002077060-A1 CONJUGATED POLYMERS CONTAINING SPIROBIFLUORENE UNITS AND FLUORENE UNITS, AND THE USE THEREOF COVION ORGANIC SEMICONDUCTORS GMBH (DE) 2002-10-03 WO disclosed
US-5828938-A Transferring device and image forming apparatus using the same MITA INDUSTRIAL CO., LTD. (JP) 1998-10-27 US disclosed