SCHEMBL8667753

SCHEMBL8667753

N#Cn1c2c(c3ccccc31)CCCC2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.54
CA2 P00918 3/20 0.54
KDM4E B2RXH2 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
GLA P06280 1/20 0.49
CASP1 P29466 1/20 0.49
CASP7 P55210 1/20 0.49
HSD17B10 Q99714 1/20 0.49
HTR6 P50406 3/20 0.48
ALDH1A1 P00352 3/20 0.47
CHRM2 P08172 1/20 0.44
HTR1A P08908 1/20 0.44
CHRM5 P08912 1/20 0.44
ADRA2A P08913 1/20 0.44
DRD2 P14416 1/20 0.44
ADRA2B P18089 1/20 0.44
ADRA2C P18825 1/20 0.44
CHRM3 P20309 1/20 0.44
DRD4 P21917 1/20 0.44

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
SCHEMBL8664937 0.77 HDAC3 (0.37) CA1CA2KDM4EMEN1KMT2A
SCHEMBL25086077 0.76 CA1 (0.48) CA1CA2KDM4EMEN1KMT2A
SCHEMBL27282251 0.74 CA1 (0.61) CA1CA2KDM4EMEN1KMT2A
SCHEMBL9059934 0.74 CA1 (0.57) CA1CA2KDM4EMEN1KMT2A
SCHEMBL8572018 0.74 CA1 (0.57) CA1CA2KDM4EMEN1KMT2A
SCHEMBL21653604 0.74 CA1 (0.57) CA1CA2KDM4EMEN1KMT2A
SCHEMBL11755532 0.74 CA1 (0.62) CA1CA2KDM4EMEN1KMT2A
SCHEMBL3927394 0.74 HTR2A (0.67) CA1CA2KDM4EMEN1KMT2A
SCHEMBL30223611 0.74 HTR2A (0.67) CA1CA2KDM4EMEN1KMT2A
SCHEMBL3890065 0.74 GPR3 (0.46) KDM4EMEN1KMT2AALDH1A1TSHR

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