SCHEMBL29721702

SCHEMBL29721702

CCS(=O)(=O)c1cc(-c2noc(C3CC3C)n2)cnc1-c1nc2cc(C(F)(F)F)cnc2n1C

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ GRIN1 Q05586 2/20 0.31
▸ GRIN2B Q13224 2/20 0.31
▸ HDAC1 Q13547 2/20 0.31
▸ HDAC6 Q9UBN7 2/20 0.31
▸ HDAC5 Q9UQL6 1/20 0.31
▸ GRM5 P41594 2/20 0.30

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
SCHEMBL24736788 1.00 LMNA (0.36) LMNAGAAHTTSMN1; SMN2POLB
SCHEMBL31244350 0.91 LMNA (0.38) LMNAGAAHTTSMN1; SMN2POLB
SCHEMBL24736825 0.88 KIT (0.37) LMNAGAAHTTSMN1; SMN2POLB
SCHEMBL24736806 0.83 POLB (0.36) LMNAGAAHTTSMN1; SMN2POLB
SCHEMBL24736769 0.83 KIT (0.37) POLBGRIN1GRIN2BHDAC1HDAC6
SCHEMBL29721751 0.83 KIT (0.37) POLBGRIN1GRIN2BHDAC1HDAC6
SCHEMBL18866344 0.81 POLB (0.42) HTTSMN1; SMN2POLBGRIN1GRIN2B
SCHEMBL24736768 0.81 POLB (0.34) POLBGRIN1GRIN2B
SCHEMBL14684583 0.80 POLB (0.48) POLB
SCHEMBL29360277 0.80 POLB (0.48) POLB

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
EP-4029571-A1 AGRICULTURAL AND HORTICULTURAL PESTICIDE HAVING AS ACTIVE COMPONENT CONDENSED HETEROCYCLIC COMPOUND HAVING SUBSTITUTED CYCLOPROPANE OXADIAZOLE GROUP OR SALT THEREOF; ECTOPARASITE OR ENDOPARASITE CONTROL AGENT FOR ANIMALS; AND USE METHOD THEREOF Nihon Nohyaku Co., Ltd. (JP) 2022-07-20 — — EP disclosed
CN-114641475-A Agricultural and horticultural insecticide or animal external or internal parasite control agent containing condensed heterocyclic compound having substituted cyclopropane oxadiazolyl group or salt thereof as active ingredient, and method for using same 日本农药株式会社 2022-06-17 — — CN disclosed
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