SCHEMBL6518949

SCHEMBL6518949

CC(=N)N(CC#N)Cc1ccc(Cl)nc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ATM Q13315 1/20 0.36
DGAT1 O75907 1/20 0.36
CHRNA7 P36544 3/20 0.36
POLB P06746 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CHRNA1 P02708 2/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35

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
SCHEMBL3261553 0.80 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AATMDGAT1
SCHEMBL10192467 0.78 ALDH1A1 (0.41) ALDH1A1MEN1KMT2AATMDGAT1
SCHEMBL763408 0.78 ALDH1A1 (0.41) ALDH1A1MEN1KMT2AATMDGAT1
SCHEMBL763871 0.77 ALDH1A1 (0.40) ALDH1A1MEN1KMT2AATMDGAT1
SCHEMBL17202936 0.76 ALDH1A1 (0.47) ALDH1A1MEN1KMT2AATMDGAT1
SCHEMBL3027044 0.75 ALDH1A1 (0.38) ALDH1A1MEN1KMT2ADGAT1CHRNA7
Hydrochloric Acid SCHEMBL8306028 0.75 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AATMDGAT1
SCHEMBL764579 0.73 ALDH1A1 (0.40) ALDH1A1MEN1KMT2AATMDGAT1
SCHEMBL14304158 0.73 ALDH1A1 (0.40) ALDH1A1MEN1KMT2AATMDGAT1
SCHEMBL10028746 0.73 ALDH1A1 (0.40) ALDH1A1MEN1KMT2AATMDGAT1

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
JP-2005053836-A METHOD FOR PRODUCING ACETAMIDINE DERIVATIVE NIPPON SODA CO LTD 2005-03-03 JP disclosed