SCHEMBL10340920

SCHEMBL10340920

Cn1cc(C(=O)Nc2cccc3c2CCC3(C)C)c(C(F)(F)F)n1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.50
▸ POLB P06746 1/20 0.50
▸ BACE1 P56817 3/20 0.44
▸ BACE2 Q9Y5Z0 3/20 0.44
▸ ATM Q13315 1/20 0.42
▸ IRAK4 Q9NWZ3 11/20 0.42
▸ STING1 Q86WV6 1/20 0.40

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
SCHEMBL9619745 0.88 POLB (0.38) LMNAPOLBBACE1BACE2IRAK4
SCHEMBL10340948 0.86 ATM (0.57) LMNAPOLBATM
SCHEMBL10341108 0.84 ATM (0.44) POLBATMIRAK4
SCHEMBL16425212 0.84 ATM (0.42) ATMIRAK4
SCHEMBL29001064 0.82 LMNA (0.48) LMNAPOLBBACE1BACE2IRAK4
SCHEMBL10341134 0.82 LMNA (0.44) LMNAPOLB
SCHEMBL10341117 0.81 CYP1A2 (0.41) LMNAPOLB
SCHEMBL10341133 0.81 CYP1A2 (0.41) LMNAPOLB
SCHEMBL10341082 0.81 CYP1A2 (0.41) LMNAPOLB
SCHEMBL10341110 0.81 CYP1A2 (0.40) LMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014083088-A2 BINARY FUNGICIDAL MIXTURES BAYER CROPSCIENCE AG (DE) 2014-06-05 — — WO disclosed
EP-0199822-B1 PYRAZOLECARBOXAMIDE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND BACTERICIDES CONTAINING THEM AS EFFECTIVE INGREDIENTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1990-01-10 — — EP disclosed
US-4742074-A Pyrazolecarboxamide derivative and fungicide containing it as active ingredient SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1988-05-03 — — US disclosed
EP-0199822-A1 PYRAZOLECARBOXAMIDE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND BACTERICIDES CONTAINING THEM AS EFFECTIVE INGREDIENTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1986-11-05 — — EP disclosed
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