SCHEMBL11301616

SCHEMBL11301616

CC(C)(CN)NC(=S)NN

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
GAA P10253 2/20 0.32
POLB P06746 1/20 0.31
ATM Q13315 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31
LMNA P02545 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31

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
SCHEMBL10486778 0.87 MEN1 (0.48) MEN1KMT2APOLBATMALDH1A1
SCHEMBL10488605 0.79 POLB (0.44) MEN1KMT2AGAAPOLBATM
SCHEMBL6529128 0.74
SCHEMBL11788093 0.73 ALDH1A1 (0.36) MEN1KMT2AATMALDH1A1CYP3A4
Hydrochloric Acid SCHEMBL11302629 0.70
SCHEMBL11251838 0.67 CYP2D6 (0.33)
SCHEMBL10861324 0.67 KDM4E (0.37) POLBALDH1A1
SCHEMBL11032929 0.65
SCHEMBL1993072 0.65
SCHEMBL7918442 0.65

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-4258181-A BACTERICIDES, AMTITUMOR AGENTS, ANTICARCINOGENIC AGENTS AMERICAN CYANAMID COMPANY (US) 1981-03-24 US disclosed