SCHEMBL18625982

SCHEMBL18625982

CCC(C)Cn1cc(-c2cnc3ccccc3c2)nn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ PDGFRB P09619 1/20 0.39
▸ PDGFRA P16234 1/20 0.39
▸ TRPV3 Q8NET8 1/20 0.39
▸ MET P08581 2/20 0.38
▸ GLS O94925 1/20 0.38
▸ PIK3CA P42336 1/20 0.38
▸ MTOR P42345 1/20 0.38
▸ DRD2 P14416 2/20 0.38
▸ DRD3 P35462 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ MGAM O43451 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ SI P14410 1/20 0.38

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
SCHEMBL18625959 0.89 NAMPT (0.43) NPC1MAPTRAB9AALDH1A1PDGFRB
SCHEMBL16264765 0.85 PDGFRB (0.44) NPC1MAPTRAB9AALDH1A1PDGFRB
SCHEMBL19387101 0.83 DRD2 (0.43) NPC1MAPTRAB9AALDH1A1PDGFRB
SCHEMBL18625977 0.79 CYP19A1 (0.55) NPC1RAB9AMGAMGAASI
SCHEMBL16263160 0.79 NPC1 (0.42) NPC1MAPTRAB9AALDH1A1PDGFRB
SCHEMBL29009129 0.70 CA12 (0.46) NPC1MAPTRAB9AALDH1A1PDGFRB
SCHEMBL30434942 0.70 CA12 (0.46) NPC1MAPTRAB9AALDH1A1PDGFRB
SCHEMBL23386949 0.70 GPR55 (0.57) ALDH1A1MGAMGAASIMGAM2
SCHEMBL22110466 0.67 DRD2 (0.56) NPC1MAPTRAB9AMETDRD2
SCHEMBL30434559 0.66 PDGFRB (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-9593140-B2 Antibacterial tylosin derivatives and methods for their preparation BAYER INTELLECTUAL PROPERTY GMBH (DE) 2017-03-14 — — US disclosed
Send feedback