SCHEMBL11337097

SCHEMBL11337097

CCC(=O)c1cccc(NC#N)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.48
ALDH1A1 P00352 3/20 0.43
MAPK1 P28482 1/20 0.43
BRAF P15056 1/20 0.42
RAB9A P51151 2/20 0.41
POLB P06746 1/20 0.41
NR4A1 P22736 1/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
LMNA P02545 2/20 0.41
CYP1A2 P05177 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C19 P33261 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
GSK3B P49841 1/20 0.41
GAA P10253 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40

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
SCHEMBL11335359 0.81 KMT2A (0.57) L3MBTL1ALDH1A1MAPK1RAB9APOLB
Water SCHEMBL8887299 0.80 AKR1C3 (0.51) L3MBTL1RAB9APOLBKMT2AMEN1
SCHEMBL2346165 0.80 AKR1C3 (0.51) L3MBTL1RAB9APOLBKMT2AMEN1
SCHEMBL12852560 0.80 L3MBTL1 (0.53) L3MBTL1ALDH1A1MAPK1BRAFRAB9A
SCHEMBL5495359 0.78 ATIC (0.54) KMT2AMEN1
SCHEMBL11505875 0.78 CA1 (0.49) L3MBTL1ALDH1A1MAPK1RAB9APOLB
Hydrochloric Acid SCHEMBL27639556 0.78 L3MBTL1 (0.51) L3MBTL1ALDH1A1MAPK1BRAFRAB9A
SCHEMBL6686241 0.77 RAB9A (0.70) L3MBTL1ALDH1A1MAPK1RAB9APOLB
SCHEMBL11595620 0.77 L3MBTL1 (0.57) L3MBTL1ALDH1A1RAB9ALMNAMAPT
SCHEMBL10389972 0.76 SMN1; SMN2 (0.54) L3MBTL1ALDH1A1RAB9APOLBNR4A1

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-4258033-A CORONARY VASODILATORS EFFECTIVE IN ISCHEMIC HEART DISEASE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1981-03-24 US disclosed