SCHEMBL10572012

SCHEMBL10572012

C=CCN1CCc2nc3cc(Cl)ccc3c(Cl)c2C1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 11/20 0.43
▸ BCHE P06276 7/20 0.43
▸ CHRM1 P11229 1/20 0.43
▸ EPHX2 P34913 1/20 0.43
▸ KMT2A Q03164 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ MAPT P10636 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ GRIN1 Q05586 1/20 0.38
▸ GRIN2A Q12879 1/20 0.38

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
SCHEMBL10571839 0.86 MEN1 (0.41) ACHEBCHECHRM1EPHX2KMT2A
SCHEMBL10572159 0.81 ACHE (0.49) ACHEBCHEKMT2AMEN1
SCHEMBL10572348 0.80 ACHE (0.47) ACHEBCHECHRM1EPHX2KMT2A
SCHEMBL10572075 0.78 ACHE (0.51) ACHEBCHECHRM1EPHX2KMT2A
SCHEMBL10575185 0.77 ACHE (0.49) ACHEBCHECHRM1EPHX2MAPT
SCHEMBL10611520 0.72 ACHE (0.44) ACHEBCHECHRM1EPHX2MAPT
SCHEMBL10481965 0.71 MAPT (0.53) ACHEBCHECHRM1EPHX2KMT2A
SCHEMBL4266767 0.70 ACHE (0.74) ACHEBCHECHRM1EPHX2MAPT
SCHEMBL10573809 0.70 ACHE (0.46) ACHEBCHEKMT2AMEN1
Hydrochloric Acid SCHEMBL9659901 0.70 MAPT (0.40) KMT2AMEN1MAPT

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-4816464-A ANTIINFLAMMATORY AGENTS, ENZYME TISSUE DESTRUCTION AMERICAN HOME PRODUCTS CORPORATION (US) 1989-03-28 — — US claimed
US-4816464-A ANTIINFLAMMATORY AGENTS, ENZYME TISSUE DESTRUCTION AMERICAN HOME PRODUCTS CORPORATION (US) 1989-03-28 — — US disclosed
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