SCHEMBL9806523

SCHEMBL9806523

COC(=O)c1ccccc1Nc1cccc(C(C)NO)c1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.50
PTGS2 P35354 2/20 0.50
ALOX15 P16050 1/20 0.50
KDM4E B2RXH2 6/20 0.47
ATM Q13315 2/20 0.47
POLB P06746 1/20 0.47
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 4/20 0.43
HPGD P15428 2/20 0.43
TSHR P16473 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
GLA P06280 1/20 0.42
GAA P10253 3/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PDK1 Q15118 1/20 0.40
PDK2 Q15119 1/20 0.40
PDK3 Q15120 1/20 0.40
PDK4 Q16654 1/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL9806500 0.87 MAPT (0.52) MAPTPTGS2ALOX15KDM4EATM
SCHEMBL9806519 0.86 MAPT (0.51) MAPTPTGS2ALOX15KDM4EATM
SCHEMBL9806542 0.84 PTGS2 (0.66) MAPTPTGS2ALOX15KMT2ATSHR
SCHEMBL9551829 0.81 PTGS2 (0.46) MAPTPTGS2ALOX15KDM4EATM
SCHEMBL19065779 0.77 MAPT (0.79) MAPTPTGS2ALOX15KDM4EATM
SCHEMBL9806587 0.75 MAPT (0.51) MAPTPTGS2ALOX15KDM4EATM
SCHEMBL9806492 0.75 MAPT (0.54) MAPTPTGS2ALOX15KDM4EATM
SCHEMBL9806508 0.75 MAPT (0.54) MAPTPTGS2ALOX15KDM4EATM
SCHEMBL9806643 0.73 PTGS2 (0.49) MAPTPTGS2ALOX15KDM4EATM
SCHEMBL9806493 0.73 MEN1 (0.57) MAPTPTGS2KMT2AHPGDTDP1

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
US-5017604-A Antiinflammatory WARNER-LAMBERT COMPANY (US) 1991-05-21 US claimed
US-5017604-A Antiinflammatory WARNER-LAMBERT COMPANY (US) 1991-05-21 US disclosed