SCHEMBL18625959

SCHEMBL18625959

CC(C)Cn1cc(-c2cnc3ccccc3c2)nn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 1/20 0.43
▸ NPC1 O15118 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ PDGFRB P09619 3/20 0.41
▸ PDGFRA P16234 3/20 0.41
▸ TRPV3 Q8NET8 1/20 0.40
▸ PIK3CA P42336 2/20 0.40
▸ MTOR P42345 2/20 0.40
▸ GLS O94925 1/20 0.40
▸ CYP2A6 P11509 1/20 0.40
▸ MGAM O43451 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ SI P14410 1/20 0.39
▸ MGAM2 Q2M2H8 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ DRD2 P14416 2/20 0.39
▸ DRD3 P35462 2/20 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
SCHEMBL18625982 0.89 NPC1 (0.40) NPC1MAPTRAB9AALDH1A1PDGFRB
SCHEMBL16264765 0.85 PDGFRB (0.44) NPC1MAPTRAB9AALDH1A1PDGFRB
SCHEMBL19387101 0.83 DRD2 (0.43) NPC1MAPTRAB9AALDH1A1PDGFRB
SCHEMBL16263160 0.82 NPC1 (0.42) NPC1MAPTRAB9AALDH1A1PDGFRB
SCHEMBL18625821 0.77 CYP19A1 (0.60) NAMPTNPC1RAB9AMGAMGAA
SCHEMBL18625968 0.75 CYP19A1 (0.57) NAMPTNPC1RAB9AMGAMGAA
SCHEMBL30434942 0.73 CA12 (0.46) NPC1MAPTRAB9AALDH1A1PDGFRB
SCHEMBL29009129 0.73 CA12 (0.46) NPC1MAPTRAB9AALDH1A1PDGFRB
SCHEMBL18625817 0.72 NAMPT (0.41) NAMPTNPC1RAB9AMGAMGAA
SCHEMBL12304956 0.71 TEK (0.55) NAMPTNPC1RAB9AMGAMGAA

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-9771389-B2 Tylosin derivatives and method for preparation thereof THE KITASAKO INSTITUTE (JP) 2017-09-26 — — US disclosed
US-9593140-B2 Antibacterial tylosin derivatives and methods for their preparation BAYER INTELLECTUAL PROPERTY GMBH (DE) 2017-03-14 — — US disclosed
Send feedback