SCHEMBL21022307

SCHEMBL21022307

CC1(Cl)C(c2ccc(CC#N)cc2)C1c1cc(Cl)cc(C(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
L3MBTL1 Q9Y468 1/20 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
SCHEMBL21021246 0.81 NPC1 (0.32) NPC1LMNAMAPTHTTL3MBTL1
SCHEMBL21021689 0.81 NPC1 (0.30) NPC1LMNAMAPTHTTL3MBTL1
SCHEMBL21021772 0.81 IDH1 (0.31)
SCHEMBL21029938 0.76 ALDH1A1 (0.37) HTT
SCHEMBL21021139 0.73 L3MBTL1 (0.33) L3MBTL1
SCHEMBL17114987 0.72 TDP1 (0.38)
SCHEMBL29940917 0.72 TDP1 (0.38)
SCHEMBL21021037 0.71 NPC1 (0.34) NPC1LMNAMAPTHTT
SCHEMBL21021657 0.70 KDM1A (0.41) MAPT
SCHEMBL21022090 0.70 CNR2 (0.40) MAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3283459-B1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2019-05-22 EP disclosed