SCHEMBL9637337

SCHEMBL9637337

Cn1nc2c(c1C(=O)NCc1ccc(C(C)(C)C)cc1)CCCC2

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.49
▸ POLB P06746 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ EPHX2 P34913 15/20 0.48
▸ NR1H4 Q96RI1 12/20 0.48
▸ HDAC3 O15379 1/20 0.48
▸ HDAC8 Q9BY41 1/20 0.48
▸ HDAC6 Q9UBN7 1/20 0.48
▸ KMT2A Q03164 3/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ RAB9A P51151 3/20 0.46
▸ LMNA P02545 2/20 0.46
▸ GALR3 O60755 1/20 0.46
▸ NR2F2 P24468 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ NPC1 O15118 1/20 0.45

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
SCHEMBL10405015 0.84 L3MBTL1 (0.45) L3MBTL1POLBMAPTTDP1EPHX2
SCHEMBL9527642 0.76 LMNA (0.77) L3MBTL1MAPTEPHX2NR1H4HDAC3
SCHEMBL11938556 0.75 LMNA (0.58) L3MBTL1MAPTEPHX2NR1H4HDAC3
Tebufenpyrad SCHEMBL26848 0.74 LMNA (0.59) L3MBTL1MAPTEPHX2NR1H4HDAC3
SCHEMBL20968008 0.74 LMNA (0.57) L3MBTL1MAPTEPHX2NR1H4HDAC3
SCHEMBL10339606 0.74 EPHX2 (0.48) L3MBTL1MAPTEPHX2NR1H4HDAC3
SCHEMBL11938558 0.74 LMNA (0.57) L3MBTL1MAPTEPHX2NR1H4HDAC3
SCHEMBL4288438 0.74 EPHX2 (0.56) L3MBTL1EPHX2NR1H4HDAC3HDAC8
SCHEMBL11938493 0.74 EPHX2 (0.48) L3MBTL1MAPTEPHX2NR1H4HDAC3
Tebufenpyrad SCHEMBL8407688 0.74 LMNA (0.59) L3MBTL1MAPTEPHX2NR1H4HDAC3

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
EP-0307801-B1 PYRAZOLE DERIVATIVE AND INSECTICIDAL AND MITICIDAL COMPOSITION CONTAINING THE DERIVATIVE AS ACTIVE INGREDIENT MITSUBISHI KASEI CORPORATION (JP) 1992-07-15 — — EP disclosed
US-4861777-A Pyrazole derivative and insecticidal and miticidal composition containing the derivative as active ingredient MITSUBISHI KASEI CORPORATION (JP) 1989-08-29 — — US disclosed
EP-0307801-A1 Pyrazole derivative and insecticidal and miticidal composition containing the derivative as active ingredient MITSUBISHI KASEI CORPORATION (JP) 1989-03-22 — — EP disclosed
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