SCHEMBL7375703

SCHEMBL7375703

O=C(O)C1CCc2nc3cc(Cl)ccc3c(Cl)c2C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
RECQL P46063 1/20 0.47
CASP6 P55212 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MAPT P10636 3/20 0.46
ALDH1A1 P00352 2/20 0.46
HTT P42858 2/20 0.46
KMT2A Q03164 1/20 0.46
ACHE P22303 6/20 0.45
BCHE P06276 5/20 0.45
CHRM1 P11229 1/20 0.45
EPHX2 P34913 1/20 0.45
GRIN1 Q05586 3/20 0.42
GRIN2A Q12879 3/20 0.42
SMYD3 Q9H7B4 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL7380828 0.86 HTT (0.45) MAPTALDH1A1HTTKMT2AACHE
SCHEMBL7383945 0.81 ACHE (0.52) MAPTACHEBCHETP53
Water SCHEMBL7385383 0.81 ACHE (0.51) MAPTACHEBCHETP53
Water SCHEMBL7385385 0.81 ACHE (0.51) MAPTACHEBCHETP53
SCHEMBL7388062 0.79 SMYD3 (0.52) MAPTALDH1A1HTTACHEBCHE
SCHEMBL7382874 0.78 ACHE (0.46) POLBMAPTALDH1A1HTTKMT2A
SCHEMBL5492773 0.74 ACHE (0.56) KMT2AACHEBCHECHRM1EPHX2
SCHEMBL4266767 0.72 ACHE (0.74) MAPTACHEBCHECHRM1EPHX2
SCHEMBL7385584 0.70 ACHE (0.51) POLBRECQLCASP6TDP1L3MBTL1
SCHEMBL4897542 0.69 SIRT1 (0.67) MAPTKMT2ASMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4851536-A ANTIFLAMMATORY AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1989-07-25 US claimed
US-4970316-A ANTIINFLAMMATORY AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1990-11-13 US disclosed
US-4851536-A ANTIFLAMMATORY AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1989-07-25 US disclosed