SCHEMBL14484119

SCHEMBL14484119

Cc1nc2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2n1C

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.61
RAB9A P51151 7/20 0.61
NAMPT P43490 2/20 0.52
MCHR1 Q99705 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
MAPT P10636 3/20 0.50
POLB P06746 2/20 0.50
MEN1 O00255 1/20 0.50
TP53 P04637 1/20 0.50
KMT2A Q03164 1/20 0.50
HDAC1 Q13547 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
HTT P42858 1/20 0.49
DEGS1 O15121 1/20 0.49
PTPN1 P18031 1/20 0.49
ACSS2 Q9NR19 1/20 0.48

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
SCHEMBL14484167 0.91 RAB9A (0.74) NPC1RAB9ANAMPTSMN1; SMN2MAPT
SCHEMBL31720872 0.85 NAMPT (0.58) NPC1RAB9ANAMPTSMN1; SMN2MAPT
SCHEMBL26603124 0.85 NAMPT (0.58) NPC1RAB9ANAMPTSMN1; SMN2MAPT
SCHEMBL26603141 0.81 NPC1 (0.53) NPC1RAB9ANAMPTSMN1; SMN2MAPT
SCHEMBL31720918 0.81 NPC1 (0.53) NPC1RAB9ANAMPTSMN1; SMN2MAPT
SCHEMBL31720899 0.79 NAMPT (0.57) NPC1RAB9ANAMPTSMN1; SMN2MAPT
SCHEMBL26603159 0.79 NAMPT (0.57) NPC1RAB9ANAMPTSMN1; SMN2MAPT
SCHEMBL13836668 0.79 NPC1 (0.71) NPC1RAB9ASMN1; SMN2MAPTTP53
SCHEMBL31720953 0.79 NPC1 (0.53) NPC1RAB9ANAMPTSMN1; SMN2MAPT
SCHEMBL26603119 0.79 NPC1 (0.53) NPC1RAB9ANAMPTSMN1; SMN2MAPT

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
US-7230020-B2 11β-hydroxysteroid dehydrogenase inhibitors STERIX LIMITED (GB) 2007-06-12 US disclosed
US-7230020-B2 11β-hydroxysteroid dehydrogenase inhibitors STERIX LIMITED (GB) 2007-06-12 US disclosed