SCHEMBL11545752

SCHEMBL11545752

CNc1c(C#N)c(NC(=O)C(F)(F)F)nn1C

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.40
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.33
GAA P10253 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
LMNA P02545 1/20 0.31
CYP2C9 P11712 1/20 0.30

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
SCHEMBL11544559 0.87 L3MBTL1 (0.37) KMT2AMAPTL3MBTL1LMNA
SCHEMBL11546629 0.83 KMT2A (0.40) KMT2ANPC1MAPTRAB9AL3MBTL1
SCHEMBL11548479 0.71 CHUK (0.38)
SCHEMBL11548205 0.70 MAPT (0.44) KMT2ANPC1MAPTRAB9AGAA
SCHEMBL11551656 0.69 L3MBTL1 (0.38) MAPTL3MBTL1LMNA
SCHEMBL11545839 0.65 CHUK (0.38) MAPT
SCHEMBL16654150 0.64 LMNA (0.33) KMT2AGAALMNA
SCHEMBL11546547 0.64 LMNA (0.51) KMT2AL3MBTL1GAALMNA
SCHEMBL11545713 0.61 MAPK8 (0.43) KMT2AMAPTLMNA
SCHEMBL15996091 0.60 KMT2A (0.40) KMT2ANPC1MAPTRAB9AL3MBTL1

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-4163846-A HERBICIDES FISONS LIMITED (GB) 1979-08-07 US disclosed