SCHEMBL27320122

SCHEMBL27320122

COc1cccc(C2COCCN2C(Cc2ccccc2)C(C)=O)c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.45
MAPT P10636 3/20 0.43
TDP1 Q9NUW8 1/20 0.43
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
TMEM97 Q5BJF2 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
ALOX15 P16050 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PIK3C3 Q8NEB9 3/20 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
SCHEMBL27313002 0.81 CNR2 (0.42) MAPTTDP1MEN1KMT2AALDH1A1
SCHEMBL28279760 0.68 HSD17B10 (0.54) RAB9AMAPTTDP1MEN1KMT2A
SCHEMBL2603317 0.67 PIK3C3 (0.41) MEN1KMT2AALDH1A1PIK3C3
SCHEMBL22213815 0.67 PIK3C3 (0.41) MEN1KMT2AALDH1A1PIK3C3
SCHEMBL18913836 0.67 PIK3C3 (0.41) MEN1KMT2AALDH1A1PIK3C3
SCHEMBL9035188 0.66 CYP19A1 (0.46) RAB9AMEN1KMT2AKDM4EALDH1A1
SCHEMBL7518980 0.65 SIRT3 (0.39) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL27323298 0.65 TSHR (0.47) MAPTKDM4EALOX15SMN1; SMN2PIK3C3
SCHEMBL27555215 0.64 MTNR1A (0.63) RAB9AMTNR1AMTNR1BL3MBTL1
SCHEMBL4105231 0.63 PIK3C3 (0.43) KDM4EALDH1A1HSD17B10PIK3C3

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
CN-1050839-C Novel sulfonylamino pyrimidines HOFFMANN LA ROCHE (CH) 2000-03-29 CN disclosed
CN-1106007-A Novel sulfonylamino pyrimidines HOFFMANN LA ROCHE (CH) 1995-08-02 CN disclosed