SCHEMBL22345899

SCHEMBL22345899

CN1C[C@H](c2cccc(C(F)(F)F)c2)C(C(=O)Nc2ccccc2F)C1=O

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPT P10636 1/20 0.42
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
RXFP1 Q9HBX9 6/20 0.39
TSHR P16473 1/20 0.39
P2RY1 P47900 1/20 0.39
FFAR3 O14843 1/20 0.39
GUSB P08236 1/20 0.39
ROCK2 O75116 1/20 0.39
GRIN2B Q13224 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL18281124 1.00 MEN1 (0.42) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL29936176 1.00 MEN1 (0.42) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL25634807 1.00 MEN1 (0.42) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL20045052 1.00 MEN1 (0.42) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL26665908 1.00 MEN1 (0.42) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL29581775 1.00 MEN1 (0.42) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL18129440 1.00 MEN1 (0.42) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL29368016 1.00 MEN1 (0.42) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL20044372 0.93 ALDH1A1 (0.43) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL30486823 0.93 GUSB (0.38) MEN1KMT2ALMNARXFP1TSHR

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
WO-2020166477-A1 HERBICIDE COMPOSITION AND WEED CONTROL METHOD 住友化学株式会社 2020-08-20 WO disclosed