SCHEMBL8397802

SCHEMBL8397802

CN=C(Nc1ccc(C(C)(C)C)cc1)Nc1ccc(C(C)(C)C)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.55
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MEN1 O00255 1/20 0.50
MAPT P10636 1/20 0.50
XBP1 P17861 1/20 0.50
MAPK1 P28482 1/20 0.50
HTT P42858 1/20 0.50
KMT2A Q03164 1/20 0.50
NR1H4 Q96RI1 2/20 0.49
HDAC3 O15379 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
EPHX2 P34913 1/20 0.49
TRPV1 Q8NER1 4/20 0.47
PDK1 Q15118 1/20 0.47
PDK2 Q15119 1/20 0.47
PDK3 Q15120 1/20 0.47

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
SCHEMBL9119616 0.77 HDAC8 (0.53) NPC1RAB9ASMN1; SMN2MEN1MAPT
SCHEMBL4113249 0.76 KIF11 (0.47) KIF11NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL4113245 0.76 KIF11 (0.47) KIF11NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL13756246 0.74 MAPT (0.81) KIF11NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL4983445 0.74 NPC1 (0.53) KIF11NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL2730172 0.74 MAPT (0.81) KIF11NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL31388334 0.74 MAPT (0.55) KIF11NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL8331892 0.73 RAB9A (0.41) KIF11NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL11184467 0.73 TAS2R38 (0.50) NPC1RAB9ASMN1; SMN2MEN1MAPT
SCHEMBL2090688 0.72 NPC1 (0.61) KIF11NPC1RAB9ASMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0918460-A1 METHODS OF TREATMENT OF EYE TRAUMA AND DISORDERS CAMBRIDGE NEUROSCIENCE, INC. (US) 1999-06-02 EP disclosed
WO-1998004131-A1 METHODS OF TREATMENT OF EYE TRAUMA AND DISORDERS CAMBRIDGE NEUROSCIENCE, INC. (US) 1998-02-05 WO disclosed