SCHEMBL24747259

SCHEMBL24747259

Cc1cc(C(C)(C)C#N)ccc1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASR P41180 1/20 0.37
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
SCN10A Q9Y5Y9 1/20 0.35
GRM5 P41594 1/20 0.34
GAA P10253 1/20 0.33
GFER P55789 1/20 0.33
ACHE P22303 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
GRM1 Q13255 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
GALK1 P51570 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL1626865 0.86 SCN10A (0.36) HDAC3HDAC1HDAC2HDAC6SCN10A
SCHEMBL10227953 0.81 SCN10A (0.38) SCN10AGRM1ALDH1A1ESR1CYP2C9
SCHEMBL1626451 0.81 AR (0.41) SCN10AGAAMEN1ALDH1A1MAPT
SCHEMBL31347512 0.81 SCN10A (0.37) SCN10AGAAMEN1ALDH1A1MAPT
SCHEMBL22726812 0.81 SCN10A (0.37) SCN10AGAAMEN1ALDH1A1MAPT
SCHEMBL604751 0.81 SCN10A (0.34) SCN10AALDH1A1CYP2C9JAK2ROCK2
SCHEMBL3533730 0.78 CASP1 (0.42) SCN10ALMNABRAFCTSA
SCHEMBL12866834 0.78 SCN10A (0.36) SCN10AGRM1ESR1CYP2C9BRAF
SCHEMBL17157434 0.77 SCN10A (0.34) SCN10AALDH1A1JAK2ROCK2PRKCQ
SCHEMBL4573201 0.77 AR (0.38) SCN10AHTR2AALDH1A1CYP2C9

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-2022174253-A1 HPK1 ANTAGONISTS AND USES THEREOF Nimbus Saturn, Inc. (US) 2022-08-18 WO disclosed