SCHEMBL31294047

SCHEMBL31294047

O=C(CC1CC2(CNC2)C1)Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.55
MEN1 O00255 6/20 0.54
KMT2A Q03164 6/20 0.54
MAPT P10636 3/20 0.54
GAA P10253 2/20 0.54
XBP1 P17861 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
EPHX2 P34913 1/20 0.53
ALDH1A1 P00352 2/20 0.51
HDAC3 O15379 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
NCOR2 Q9Y618 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
RECQL P46063 1/20 0.49
RXFP1 Q9HBX9 1/20 0.48

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
SCHEMBL23060409 0.82 MEN1 (0.65) SMN1; SMN2MEN1KMT2AMAPTGAA
SCHEMBL31293960 0.81 EPHX2 (0.65) SMN1; SMN2MEN1KMT2AMAPTXBP1
SCHEMBL31294024 0.79 RAB9A (0.66) SMN1; SMN2MEN1KMT2AMAPTGAA
SCHEMBL13568442 0.79 MAPT (0.58) SMN1; SMN2MEN1KMT2AMAPTGAA
SCHEMBL31293563 0.79 DCUN1D1 (0.54) SMN1; SMN2EPHX2RAB9ALMNA
SCHEMBL31293526 0.78 SMN1; SMN2 (0.49) SMN1; SMN2MEN1KMT2AMAPTGAA
Trifluoroacetic Acid SCHEMBL20983814 0.76 SMN1; SMN2 (0.49) SMN1; SMN2MEN1KMT2AMAPTEPHX2
SCHEMBL5142590 0.76 MAPT (0.77) SMN1; SMN2MEN1KMT2AMAPTGAA
SCHEMBL31236338 0.76 MAPT (0.77) SMN1; SMN2MEN1KMT2AMAPTGAA
SCHEMBL5805724 0.75 MAPT (0.70) SMN1; SMN2MEN1KMT2AMAPTGAA

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-4724439-A1 HETEROARYL DERIVATIVES AS DDRS INHIBITORS Chiesi Farmaceutici S.p.A. (IT) 2026-04-15 EP disclosed
WO-2024251855-A1 HETEROARYL DERIVATIVES AS DDRS INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2024-12-12 WO disclosed