SCHEMBL27401595

SCHEMBL27401595

FC(F)(F)c1ccc(/C=C/C2CNC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.50
CYP1A2 P05177 1/20 0.49
HDAC3 O15379 1/20 0.45
ADAM17 P78536 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45
GLA P06280 1/20 0.44
AHR P35869 1/20 0.43
PTGS1 P23219 1/20 0.43
FBP1 P09467 1/20 0.42
NQO2 P16083 1/20 0.42
CHRNB2 P17787 2/20 0.41
CHRNA4 P43681 2/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41

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
Trifluoroacetic Acid SCHEMBL30835868 0.89 CYP1A2 (0.51) MAOBCYP1A2HDAC3ADAM17HDAC1
Hydrochloric Acid SCHEMBL30836062 0.85 MAOB (0.48) MAOBCYP1A2HDAC3ADAM17HDAC1
Hydrochloric Acid SCHEMBL31556609 0.85 MAOB (0.48) MAOBCYP1A2HDAC3ADAM17HDAC1
SCHEMBL9562365 0.83 MAOB (0.55) MAOBCYP1A2HDAC3ADAM17HDAC1
SCHEMBL9562361 0.83 MAOB (0.55) MAOBCYP1A2HDAC3ADAM17HDAC1
Hydrochloric Acid SCHEMBL19994635 0.81 HTR2C (0.54) MAOBCYP1A2HDAC3ADAM17HDAC1
Hydrochloric Acid SCHEMBL19994632 0.81 HTR2C (0.54) MAOBCYP1A2HDAC3ADAM17HDAC1
SCHEMBL27401521 0.80 MAOB (0.54) MAOBFBP1CHRNB2CHRNA4CHRNB4
SCHEMBL28339243 0.79 MAOB (0.57) MAOBCYP1A2HDAC3ADAM17HDAC1
Hydrochloric Acid SCHEMBL31556494 0.78 CYP1A2 (0.41) MAOBCYP1A2HDAC3ADAM17HDAC1

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-2024059317-A1 YAP/TAZ-TEAD ONCOPROTEINS INHIBITORS BRIDGENE BIOSCIENCES, INC. (US) 2024-03-21 WO disclosed