SCHEMBL7767876

SCHEMBL7767876

CCN(Cc1ccc(Cl)nc1)C(=NC#N)SC

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CHRNA7 P36544 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ALDH1A1 P00352 3/20 0.35
AR P10275 1/20 0.34
DGAT1 O75907 1/20 0.33
POLB P06746 1/20 0.33
LMNA P02545 2/20 0.33
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL7767874 1.00 CHRNB2 (0.36) CHRNB2CHRNA4MEN1KMT2ACHRNA7
SCHEMBL7768113 0.85 CHRNB2 (0.37) CHRNB2CHRNA4MEN1KMT2ACHRNA7
SCHEMBL7768115 0.85 CHRNB2 (0.37) CHRNB2CHRNA4MEN1KMT2ACHRNA7
SCHEMBL7664499 0.85 ALDH1A1 (0.38) MEN1KMT2AALDH1A1DGAT1LMNA
SCHEMBL7664495 0.85 ALDH1A1 (0.38) MEN1KMT2AALDH1A1DGAT1LMNA
SCHEMBL764579 0.84 ALDH1A1 (0.40) CHRNB2CHRNA4MEN1KMT2ACHRNA7
SCHEMBL14304158 0.84 ALDH1A1 (0.40) CHRNB2CHRNA4MEN1KMT2ACHRNA7
SCHEMBL10028746 0.84 ALDH1A1 (0.40) CHRNB2CHRNA4MEN1KMT2ACHRNA7
SCHEMBL7636271 0.81 CHRNB2 (0.38) CHRNB2CHRNA4MEN1KMT2ACHRNA7
SCHEMBL7636265 0.81 CHRNB2 (0.38) CHRNB2CHRNA4MEN1KMT2ACHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0665222-B1 Guanidine derivatives, their production and insecticides TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-06-20 EP disclosed
US-5633375-A NONTOXIC TO HUMNAS, ANIMALS, FISH TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-05-27 US disclosed
US-5489603-A CONTAINING NITROGEN HETEROCYCLIC RINGS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-02-06 US disclosed
EP-0493369-B1 Guanidine derivatives, their production and insecticides TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1995-11-08 EP disclosed
EP-0665222-A1 Guanidine derivatives, their production and insecticides Takeda Chemical Industries, Ltd. (JP) 1995-08-02 EP disclosed
EP-0493369-A1 Guanidine derivatives, their production and insecticides Takeda Chemical Industries, Ltd. (JP) 1992-07-01 EP disclosed
US-5034404-A Nitroguanidines as insecticides TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1991-07-23 US disclosed
EP-0376279-A2 Guanidine derivatives, their production and insecticides Takeda Chemical Industries, Ltd. (JP) 1990-07-04 EP disclosed