SCHEMBL7375848

SCHEMBL7375848

CCOC(=O)C1CCc2nc3cc(Cl)ccc3c(NNc3ccccc3)c2C1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.46
MAPT P10636 7/20 0.45
TP53 P04637 5/20 0.45
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.42
THRB P10828 1/20 0.41
ALDH1A1 P00352 2/20 0.40
HTT P42858 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL7383945 0.87 ACHE (0.52) ACHEMAPTTP53
Water SCHEMBL7385385 0.86 ACHE (0.51) ACHEMAPTTP53
Water SCHEMBL7385383 0.86 ACHE (0.51) ACHEMAPTTP53
SCHEMBL7380712 0.81 ACHE (0.56) ACHEALDH1A1
SCHEMBL7384764 0.77 ACHE (0.54) ACHE
SCHEMBL7380828 0.74 HTT (0.45) ACHEMAPTTP53RAB9ASMN1; SMN2
SCHEMBL7377027 0.72 ACHE (0.55) ACHE
SCHEMBL10573396 0.70 ACHE (0.55) ACHE
SCHEMBL7386411 0.70 ACHE (0.57) ACHE
SCHEMBL10569871 0.69 ACHE (0.48) ACHETDP1MEN1KMT2A

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