SCHEMBL8560882

SCHEMBL8560882

COc1cc(Cl)ccc1-c1nc(Cc2ccccc2)oc1-c1ccccc1S(N)(=O)=O

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
PTGES2 Q9H7Z7 7/20 0.40
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
RXRA P19793 2/20 0.38
KAT6A Q92794 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
CTSA P10619 2/20 0.35
P2RX3 P56373 1/20 0.35
RXRB P28702 1/20 0.35
ELANE P08246 1/20 0.35
DPP4 P27487 1/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL8556147 0.96 MAPT (0.43) MAPTPTGES2ALDH1A1LMNARXRA
SCHEMBL8557664 0.90 L3MBTL1 (0.43) MAPTALDH1A1RXRACA12CA1
SCHEMBL8557954 0.89 RXRA (0.47) MAPTALDH1A1LMNARXRACA12
SCHEMBL8560978 0.89 CDK9 (0.42) RXRACA12CA1CA2CA9
SCHEMBL8553420 0.87 MAPT (0.40) MAPTALDH1A1LMNARXRACA12
SCHEMBL8556401 0.87 CYP2C9 (0.40) MAPTPTGES2ALDH1A1LMNARXRA
SCHEMBL7501551 0.86 CA2 (0.43) MAPTALDH1A1LMNACA12CA1
SCHEMBL8559042 0.86 L3MBTL1 (0.43) MAPTALDH1A1RXRACA12CA1
SCHEMBL8553816 0.85 MAPT (0.40) MAPTALDH1A1LMNARXRAP2RX3
SCHEMBL8561449 0.85 RXRA (0.40) MAPTPTGES2ALDH1A1LMNARXRA

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-5719163-A ARTHRITIS G.D. SEARLE & CO. (US) 1998-02-17 US disclosed