SCHEMBL9869934

SCHEMBL9869934

CCC(CN)Nc1ccc(Cl)nc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 6/20 0.36
KCNQ2 O43526 6/20 0.36
KCNE1 P15382 3/20 0.36
KCNQ1 P51787 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
SYK P43405 1/20 0.36
TNF P01375 1/20 0.35
CRHR1 P34998 1/20 0.35
MAPT P10636 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
BACE1 P56817 1/20 0.35
DGAT1 O75907 1/20 0.34

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
SCHEMBL7865565 0.78 L3MBTL1 (0.59) KCNQ3KCNQ2KCNE1KCNQ1MEN1
SCHEMBL9219043 0.74 KCNQ3 (0.37) KCNQ3KCNQ2KCNE1KCNQ1MEN1
SCHEMBL3824428 0.73 KCNQ3 (0.42) KCNQ3KCNQ2KCNE1KCNQ1ALDH1A1
SCHEMBL4442545 0.70 ADRA2A (0.49) KCNQ3KCNQ2KCNE1KCNQ1MEN1
SCHEMBL10851455 0.70 TDP1 (0.46) ALDH1A1LMNAL3MBTL1
SCHEMBL10584828 0.69 KCNQ3 (0.40) KCNQ3KCNQ2KCNE1KCNQ1TNF
SCHEMBL9220618 0.67 STK17A (0.44) KCNQ3KCNQ2KCNE1KCNQ1ALDH1A1
SCHEMBL7662714 0.67 RRM2 (0.44) KCNQ3KCNQ2KCNE1KCNQ1MEN1
SCHEMBL7793613 0.67 L3MBTL1 (0.45) KCNQ3KCNQ2KCNE1KCNQ1MEN1
SCHEMBL1198471 0.67

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-5039686-A Insecticides SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 1991-08-13 US disclosed