SCHEMBL8664937

SCHEMBL8664937

N#Cn1c2c(c3ccccc31)CCOC2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
NCOR2 Q9Y618 1/20 0.37
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
HTR2A P28223 2/20 0.36
HTR2C P28335 2/20 0.36
KDM4E B2RXH2 4/20 0.35
HSD17B10 Q99714 3/20 0.35
ALOX15 P16050 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
GLA P06280 1/20 0.33
CASP1 P29466 1/20 0.33

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
SCHEMBL9958112 0.78 HTR2A (0.55) HTR2AHTR2CKDM4EHSD17B10ALOX15
SCHEMBL11227371 0.78 HDAC3 (0.38) HDAC3HDAC1HDAC2HDAC10HDAC8
SCHEMBL8663600 0.78 HDAC3 (0.38) HDAC3HDAC1HDAC2HDAC10HDAC8
SCHEMBL8667753 0.77 CA1 (0.54) HDAC1HDAC10HDAC6CA1CA2
SCHEMBL5793241 0.74 KDM4E (0.49) HDAC3HDAC1HDAC2HDAC10HDAC8
SCHEMBL32665750 0.73 GPR3 (0.46) KDM4EMEN1KMT2AIMPDH2ALDH1A1
SCHEMBL29940205 0.73 GPR3 (0.46) KDM4EMEN1KMT2AIMPDH2ALDH1A1
SCHEMBL3890065 0.73 GPR3 (0.46) KDM4EMEN1KMT2AIMPDH2ALDH1A1
SCHEMBL29824262 0.66 LMNA (0.36) HTR2AHTR2CKDM4EHSD17B10ALOX15
SCHEMBL31486825 0.65 HTR2A (0.56) HTR2AHTR2CKDM4EHSD17B10ALOX15

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-5830911-A ANTIARTHRITIC AGENTS; ANTICARCINOGENIC AGENTS; ALZHEIMER'SDISEASE AMERICAN HOME PRODUCTS CORPORATION (US) 1998-11-03 US disclosed