SCHEMBL8867744

SCHEMBL8867744

O=C(Nc1ccc(CCO)cc1)Nc1ccccc1F

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.68
RAB9A P51151 10/20 0.68
SMN1; SMN2 Q16637 6/20 0.68
HTT P42858 5/20 0.68
POLB P06746 1/20 0.68
MAPT P10636 3/20 0.64
MEN1 O00255 3/20 0.64
KMT2A Q03164 3/20 0.64
PKM P14618 4/20 0.59
NFKB1 P19838 3/20 0.59
NFKB2 Q00653 3/20 0.59
RELA Q04206 3/20 0.59
CA12 O43570 1/20 0.58
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
CYP1A2 P05177 1/20 0.58
CA9 Q16790 1/20 0.58
KDM4E B2RXH2 1/20 0.58
NTRK1 P04629 2/20 0.58
CDK5 Q00535 1/20 0.56

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
SCHEMBL8867735 0.88 NPC1 (0.68) NPC1RAB9ASMN1; SMN2HTTPOLB
SCHEMBL8868654 0.82 EPHX1 (0.63) NPC1RAB9ASMN1; SMN2HTTMAPT
SCHEMBL7923242 0.82 MEN1 (0.67) NPC1RAB9ASMN1; SMN2HTTPOLB
SCHEMBL5275055 0.82 NPC1 (0.68) NPC1RAB9ASMN1; SMN2HTTPOLB
SCHEMBL14052828 0.82 HRH3 (0.61) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL4919470 0.81 RAB9A (1.00) NPC1RAB9ASMN1; SMN2HTTPOLB
SCHEMBL8868957 0.81 CNR1 (0.59) NPC1RAB9ASMN1; SMN2HTTPOLB
SCHEMBL21834403 0.81 NPC1 (0.81) NPC1RAB9ASMN1; SMN2HTTPOLB
SCHEMBL24272328 0.80 RAB9A (0.78) NPC1RAB9ASMN1; SMN2HTTPOLB
SCHEMBL30851501 0.79 RAB9A (1.00) NPC1RAB9ASMN1; SMN2HTTPOLB

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-5686484-A ANTHELMINTICS, ACARICIDES, INSECTICIDES SANKYO CO., LTD. (JP) 1997-11-11 US disclosed