SCHEMBL8405284

SCHEMBL8405284

CCN=C(SC)N(CC)Cc1cccnc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.51
CHRNA4 P43681 2/20 0.51
TRPM8 Q7Z2W7 1/20 0.46
RIPK1 Q13546 1/20 0.44
NR1H2 P55055 1/20 0.43
NR1H3 Q13133 1/20 0.43
HTT P42858 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL7670648 0.88 CHRNB2 (0.53) CHRNB2CHRNA4TRPM8RIPK1NR1H2
SCHEMBL7658401 0.85 CHRNB2 (0.53) CHRNB2CHRNA4RIPK1NR1H2NR1H3
SCHEMBL8405283 0.83 CHRNB2 (0.46) CHRNB2CHRNA4TRPM8RIPK1HTT
SCHEMBL7669732 0.77 CHRNB2 (0.47) CHRNB2CHRNA4TRPM8RIPK1NR1H2
SCHEMBL7668729 0.77 KMT2A (0.48) CHRNB2CHRNA4HTTSMN1; SMN2LMNA
SCHEMBL10518385 0.75 TDP1 (0.48) CHRNB2CHRNA4TRPM8RIPK1HTT
SCHEMBL7664882 0.75 CHRNB2 (0.48) CHRNB2CHRNA4RIPK1HTTSMN1; SMN2
SCHEMBL10512387 0.74 CHRNB2 (0.49) CHRNB2CHRNA4RIPK1NR1H2NR1H3
SCHEMBL7658397 0.74 CHRNB2 (0.49) CHRNB2CHRNA4RIPK1NR1H2NR1H3
SCHEMBL20057648 0.74 CHRNB2 (0.60) CHRNB2CHRNA4TRPM8RIPK1HTT

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
US-5935981-A INSECTICIDAL/MITICIDAL ACTIVITY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-08-10 US disclosed