SCHEMBL19387101

SCHEMBL19387101

CCCn1cc(-c2cnc3ccccc3c2)nn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 3/20 0.43
▸ DRD3 P35462 3/20 0.43
▸ DRD4 P21917 1/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ PDGFRB P09619 3/20 0.42
▸ PDGFRA P16234 3/20 0.42
▸ CYP2A6 P11509 1/20 0.40
▸ QPCT Q16769 1/20 0.40
▸ QPCTL Q9NXS2 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ MAPKAPK2 P49137 1/20 0.40
▸ BIRC5 O15392 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ GSK3B P49841 2/20 0.39
▸ FLT3 P36888 1/20 0.39
▸ PIK3CD O00329 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
SCHEMBL16264765 0.89 PDGFRB (0.44) DRD2DRD3DRD4NPC1MAPT
SCHEMBL18625959 0.83 NAMPT (0.43) DRD2DRD3DRD4NPC1MAPT
SCHEMBL16263160 0.83 NPC1 (0.42) DRD2DRD3DRD4NPC1MAPT
SCHEMBL22110466 0.83 DRD2 (0.56) DRD2DRD3DRD4NPC1MAPT
SCHEMBL18625982 0.83 NPC1 (0.40) DRD2DRD3DRD4NPC1MAPT
SCHEMBL12022152 0.77 CYP19A1 (0.62) NPC1RAB9AMEN1KMT2A
Bromide SCHEMBL1883296 0.75 CYP19A1 (0.60) NPC1RAB9AMEN1KMT2A
SCHEMBL17697510 0.74 CYP19A1 (0.58) DRD2DRD3DRD4NPC1RAB9A
SCHEMBL29009129 0.74 CA12 (0.46) NPC1MAPTRAB9AALDH1A1PDGFRB
SCHEMBL30434942 0.74 CA12 (0.46) NPC1MAPTRAB9AALDH1A1PDGFRB

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-9771389-B2 Tylosin derivatives and method for preparation thereof THE KITASAKO INSTITUTE (JP) 2017-09-26 — — US disclosed
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