SCHEMBL14016644

SCHEMBL14016644

C(=Cc1ccc(-n2ncc(-c3ccccc3)n2)cc1)c1ccc(-c2nnc(-c3ccccc3)o2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.45
RAB9A P51151 10/20 0.45
SMN1; SMN2 Q16637 5/20 0.45
HPGD P15428 4/20 0.45
KDM4E B2RXH2 4/20 0.45
HSD17B10 Q99714 2/20 0.42
POLB P06746 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPT P10636 2/20 0.40
ALDH1A1 P00352 1/20 0.40
GLA P06280 1/20 0.40
ALOX15 P16050 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
ATAD2 Q6PL18 1/20 0.39

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
SCHEMBL11733969 0.99 NPC1 (0.44) NPC1RAB9ASMN1; SMN2HPGDKDM4E
SCHEMBL11738096 0.97 NPC1 (0.45) NPC1RAB9ASMN1; SMN2HPGDKDM4E
SCHEMBL11738088 0.97 NPC1 (0.45) NPC1RAB9ASMN1; SMN2HPGDKDM4E
SCHEMBL11733977 0.93 SMN1; SMN2 (0.40) NPC1RAB9ASMN1; SMN2HPGDKDM4E
SCHEMBL10766985 0.88 KDM4E (0.44) NPC1RAB9ASMN1; SMN2HPGDKDM4E
SCHEMBL11499348 0.86 KDM4E (0.43) RAB9ASMN1; SMN2KDM4EHSD17B10RELA
SCHEMBL11125994 0.86 KDM4E (0.43) NPC1RAB9ASMN1; SMN2HPGDKDM4E
SCHEMBL11499347 0.86 KDM4E (0.43) RAB9ASMN1; SMN2KDM4EHSD17B10RELA
SCHEMBL6395530 0.86 KDM4E (0.43) NPC1RAB9ASMN1; SMN2HPGDKDM4E
SCHEMBL11682761 0.86 KDM4E (0.43) NPC1RAB9ASMN1; SMN2HPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7438898-B1 Hair conditioning composition comprising carboxylic acid/carboxylate copolymer, and visible particle THE PROCTER & GAMBLE COMPANY (US) 2008-10-21 US disclosed