SCHEMBL8480867

SCHEMBL8480867

COc1ccccc1CN1CCCC(C)C1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.60
MEN1 O00255 2/20 0.60
KDM4E B2RXH2 2/20 0.59
PTPN11 Q06124 1/20 0.55
ALDH1A1 P00352 1/20 0.55
GNAI3 P08754 1/20 0.54
CHRM2 P08172 1/20 0.54
CHRM4 P08173 1/20 0.54
CHRM5 P08912 1/20 0.54
CHRM1 P11229 1/20 0.54
CHRM3 P20309 1/20 0.54
L3MBTL1 Q9Y468 2/20 0.53
TDP1 Q9NUW8 1/20 0.53
HRH3 Q9Y5N1 3/20 0.52
PDE2A O00408 1/20 0.52
ROCK2 O75116 1/20 0.50

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
SCHEMBL15084346 1.00 KMT2A (0.60) KMT2AMEN1KDM4EPTPN11ALDH1A1
SCHEMBL13284337 0.91 CHRM2 (0.60) KMT2AMEN1KDM4EGNAI3CHRM2
SCHEMBL15084379 0.84 MEN1 (0.55) KMT2AMEN1KDM4EL3MBTL1TDP1
SCHEMBL15081953 0.82 KMT2A (0.56) KMT2AMEN1KDM4EPTPN11ALDH1A1
SCHEMBL12013923 0.82 CHRM2 (0.68) KMT2AMEN1GNAI3CHRM2CHRM4
SCHEMBL13284339 0.81 MEN1 (0.79) KMT2AMEN1KDM4EALDH1A1GNAI3
SCHEMBL14032713 0.81 KDM4E (0.54) KMT2AMEN1KDM4EALDH1A1L3MBTL1
SCHEMBL18629271 0.81 ACHE (0.67) KMT2AMEN1ALDH1A1PDE2A
SCHEMBL15084345 0.81 ACHE (0.67) KMT2AMEN1ALDH1A1PDE2A
SCHEMBL3696689 0.80 KDM4E (0.72) KMT2AMEN1KDM4EPTPN11ALDH1A1

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
JP-11209345-A None JP disclosed
JP-H11209345-A PRODUCTION OF INTERMEDIATE FOR DRUG ONO PHARMACEUT CO LTD 1999-08-03 JP disclosed