SCHEMBL14385683

SCHEMBL14385683

CNc1ccc(/C=C/c2ccccn2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.57
RAB9A P51151 3/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
ATM Q13315 1/20 0.57
APP P05067 7/20 0.52
PTGS1 P23219 1/20 0.50
PTGS2 P35354 1/20 0.50
KCNH2 Q12809 2/20 0.49
KDR P35968 1/20 0.47
MAT2A P31153 1/20 0.43
TUBB4A P04350 1/20 0.42
TUBB P07437 1/20 0.42
TUBA3C P0DPH7 1/20 0.42
TUBA1B P68363 1/20 0.42
TUBA4A P68366 1/20 0.42
TUBB4B P68371 1/20 0.42
TUBB3 Q13509 1/20 0.42
TUBB2A Q13885 1/20 0.42
TUBB8 Q3ZCM7 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
SCHEMBL28595722 0.84 KMT2A (0.80) NPC1RAB9AMEN1KMT2AATM
SCHEMBL29419010 0.84 KMT2A (0.80) NPC1RAB9AMEN1KMT2AATM
SCHEMBL1968028 0.82 MEN1 (0.57) NPC1RAB9AMEN1KMT2AATM
SCHEMBL3629451 0.82 MEN1 (0.57) NPC1RAB9AMEN1KMT2AATM
Hydrochloric Acid SCHEMBL29443430 0.81 NPC1 (0.55) NPC1RAB9AMEN1KMT2AATM
Hydrochloric Acid SCHEMBL5470036 0.81 NPC1 (0.55) NPC1RAB9AMEN1KMT2AATM
Hydrochloric Acid SCHEMBL591897 0.81 NPC1 (0.55) NPC1RAB9AMEN1KMT2AATM
SCHEMBL707730 0.79 NPC1 (0.64) NPC1RAB9AMEN1KMT2AATM
SCHEMBL707731 0.79 NPC1 (0.64) NPC1RAB9AMEN1KMT2AATM
SCHEMBL22009097 0.79 TUBB4A (0.68) NPC1RAB9AMEN1KMT2AATM

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
WO-2007128691-A1 HIGH CAPACITY OPTICAL STORAGE MEDIA COMPRISING ORGANOMETALLIC ION PAIRS CIBA HOLDING INC. (CH) 2007-11-15 WO disclosed
WO-2007090765-A2 HIGH CAPACITY OPTICAL STORAGE MEDIA COMPRISING ORGANOMETALLIC ION PAIRS CIBA HOLDING INC. (CH) 2007-08-16 WO disclosed