SCHEMBL27313002

SCHEMBL27313002

COc1ccccc1C1COCCN1C(Cc1ccccc1)C(C)=O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.42
LMNA P02545 1/20 0.40
ALOX15 P16050 1/20 0.40
ITGB1 P05556 2/20 0.39
ITGA4 P13612 2/20 0.39
MMP8 P22894 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CNR1 P21554 1/20 0.39
ITGB7 P26010 1/20 0.38
ALDH1A1 P00352 2/20 0.38
GAA P10253 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
SCHEMBL27320122 0.81 RAB9A (0.45) ALOX15MEN1KMT2AMAPTTDP1
SCHEMBL29643357 0.72 HSP90AA1 (0.42) MEN1KMT2ATDP1ALDH1A1GAA
SCHEMBL28279760 0.70 HSD17B10 (0.54) LMNAMMP8MEN1KMT2AMAPT
SCHEMBL4296695 0.70 DRD2 (0.43) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL18784918 0.70 DRD2 (0.44) MEN1KMT2AALDH1A1
SCHEMBL13041188 0.63 BACE1 (0.53) MEN1KMT2A
SCHEMBL28119493 0.62 CYP2D6 (0.50) ITGA4MEN1KMT2AITGB7ALDH1A1
SCHEMBL9516925 0.62 LMNA (0.68) LMNAALOX15MMP8MEN1KMT2A
SCHEMBL7280926 0.62 LMNA (0.68) LMNAALOX15MMP8MEN1KMT2A
SCHEMBL9516205 0.62 KMT2A (0.50) LMNAMMP8MEN1KMT2AMAPT

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