SCHEMBL8558630

SCHEMBL8558630

CCc1nc(CCCOc2ccc(-c3nnn(C)n3)cc2)cn1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.40
TSHR P16473 2/20 0.40
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 2/20 0.40
MAPT P10636 2/20 0.39
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
USP2 O75604 1/20 0.38
LTA4H P09960 2/20 0.37
CYP19A1 P11511 2/20 0.36
DHFR P00374 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP2C9 P11712 1/20 0.36
MEN1 O00255 2/20 0.35

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
SCHEMBL8556856 0.83 NR1I2 (0.33) NPC1RAB9ANFKB1NFKB2RELA
SCHEMBL9090697 0.79 NPC1 (0.46) NPC1RAB9ANFKB1NFKB2RELA
SCHEMBL8220320 0.73 SMN1; SMN2 (0.60) NPC1RAB9ANFKB1NFKB2RELA
SCHEMBL8558634 0.67 NPC1 (0.41) NPC1RAB9ANFKB1NFKB2RELA
SCHEMBL4503625 0.67 NPC1 (0.55) NPC1RAB9ANFKB1NFKB2RELA
SCHEMBL5192240 0.66 LTA4H (0.64) NPC1RAB9ANFKB1NFKB2RELA
SCHEMBL13846211 0.66 KMT2A (0.60) NPC1RAB9ANFKB1NFKB2RELA
SCHEMBL10507690 0.66 CYP1A2 (0.44) NPC1RAB9ANFKB1NFKB2RELA
SCHEMBL8807192 0.66 MAOB (0.70) NPC1RAB9ANFKB1NFKB2RELA
SCHEMBL13846113 0.64 NPC1 (0.52) NPC1RAB9ANFKB1NFKB2RELA

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-5846986-A Therapeutic phenoxyalkylazoles and phenoxyalkylazines SANOFI (FR) 1998-12-08 US disclosed
US-5721261-A TREATING PICORNAVIRUS INFECTIONS SANOFI PHARMACEUTICALS, INC. (US) 1998-02-24 US disclosed