SCHEMBL22288489

SCHEMBL22288489

Nc1ccc(NCc2ccc(F)cc2)c(F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHMT2 P34897 2/20 0.50
KCNQ3 O43525 3/20 0.44
KCNQ2 O43526 3/20 0.44
KCNQ4 P56696 1/20 0.44
KCNQ5 Q9NR82 1/20 0.44
TAAR1 Q96RJ0 1/20 0.42
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
RPS6KB1 P23443 1/20 0.40
MITF O75030 1/20 0.40
ADRA2B P18089 1/20 0.40
CISD1 Q9NZ45 1/20 0.39
APP P05067 1/20 0.39
KCNH3 Q9ULD8 1/20 0.39
MAP2K4 P45985 1/20 0.39

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
SCHEMBL31577324 1.00 SHMT2 (0.50) SHMT2KCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL11935975 0.90 SHMT2 (0.57) SHMT2KCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL13054791 0.86 SMN1; SMN2 (0.46) LMNAMAPTSMN1; SMN2TDP1MAPK1
SCHEMBL24969073 0.82 TAAR1 (0.50) SHMT2TAAR1RPS6KB1APPHDAC4
SCHEMBL30152251 0.82 TAAR1 (0.50) SHMT2TAAR1RPS6KB1APPHDAC4
SCHEMBL11935988 0.77 MAPT (0.63) SHMT2KCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL9337417 0.76 SHMT2 (0.57) SHMT2MEN1LMNAPOLBMAPT
SCHEMBL16625699 0.76 KCNQ3 (0.47) SHMT2KCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL11935875 0.75 HDAC1 (0.48) MEN1LMNAMAPTKMT2ASMN1; SMN2
SCHEMBL5203429 0.75 SHMT2 (0.56) SHMT2LMNAPOLBSMN1; SMN2KCNH3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3917907-A1 MODULATORS OF POTASSIUM ION CHANNELS AND USES THEREOF Universitá Degli Studi Di Salerno (IT) 2021-12-08 EP disclosed
WO-2020157126-A1 MODULATORS OF POTASSIUM ION CHANNELS AND USES THEREOF Università degli Studi di Salerno (IT) 2020-08-06 WO disclosed