SCHEMBL8553420

SCHEMBL8553420

Cc1cc(Cl)ccc1-c1nc(Cc2ccccc2)oc1-c1ccccc1S(N)(=O)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
GRM2 Q14416 1/20 0.39
RXRA P19793 3/20 0.37
RXRB P28702 3/20 0.37
RXRG P48443 1/20 0.37
NPC1 O15118 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NR4A2 P43354 3/20 0.35
EGFR P00533 1/20 0.34
TP53 P04637 1/20 0.34
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA6 P23280 2/20 0.34
CA7 P43166 2/20 0.34
CA13 Q8N1Q1 2/20 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
SCHEMBL8553816 0.96 MAPT (0.40) MAPTALDH1A1LMNAGRM2RXRA
SCHEMBL8556401 0.90 CYP2C9 (0.40) MAPTALDH1A1LMNARXRARXRB
SCHEMBL8554839 0.90 RXRA (0.38) MAPTALDH1A1RXRARXRBRXRG
SCHEMBL8558684 0.88 RXRA (0.46) MAPTALDH1A1LMNARXRARXRB
SCHEMBL8559713 0.88 FABP1 (0.38) MAPTALDH1A1RXRARXRBRXRG
SCHEMBL8561449 0.88 RXRA (0.40) MAPTALDH1A1LMNARXRARXRB
SCHEMBL8559383 0.88 RXRA (0.47) MAPTALDH1A1LMNARXRARXRB
SCHEMBL8560882 0.87 MAPT (0.43) MAPTALDH1A1LMNARXRARXRB
SCHEMBL9025390 0.87 ALDH1A1 (0.41) MAPTALDH1A1LMNAGRM2RXRA
SCHEMBL8555966 0.86 CA12 (0.37) MAPTALDH1A1LMNARXRARXRB

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