SCHEMBL6623396

SCHEMBL6623396

Cc1c(F)cc(C2C(C#N)=C(N)Oc3cc(N(C)C)ccc32)c(F)c1F

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.64
KMT2A Q03164 9/20 0.64
MAPT P10636 6/20 0.64
GAA P10253 5/20 0.64
TSHR P16473 4/20 0.64
HTT P42858 3/20 0.64
NPSR1 Q6W5P4 3/20 0.64
LMNA P02545 3/20 0.64
MAPK1 P28482 3/20 0.64
TP53 P04637 2/20 0.64
ALOX15 P16050 2/20 0.64
USP2 O75604 2/20 0.64
CASP1 P29466 2/20 0.64
CASP7 P55210 2/20 0.64
TUBB4A P04350 2/20 0.52
TUBB P07437 2/20 0.52
TUBA3C P0DPH7 2/20 0.52
TUBA1B P68363 2/20 0.52
TUBA4A P68366 2/20 0.52
TUBB4B P68371 2/20 0.52

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
SCHEMBL6623811 0.91 MEN1 (0.64) MEN1KMT2AMAPTGAATSHR
SCHEMBL4331880 0.88 MEN1 (0.67) MEN1KMT2AMAPTGAATSHR
SCHEMBL4323647 0.86 MEN1 (0.69) MEN1KMT2AMAPTGAATSHR
SCHEMBL6620356 0.84 TUBB4A (0.61) MEN1KMT2AMAPTGAATSHR
SCHEMBL30628030 0.83 NPC1 (0.72) MEN1KMT2AMAPTGAATSHR
SCHEMBL28649235 0.83 NPC1 (0.72) MEN1KMT2AMAPTGAATSHR
SCHEMBL4323810 0.82 MEN1 (0.62) MEN1KMT2AMAPTGAATSHR
SCHEMBL6623890 0.81 TUBB4A (0.62) MEN1KMT2AMAPTGAATSHR
SCHEMBL28658257 0.80 MEN1 (0.65) MEN1KMT2AMAPTGAATSHR
SCHEMBL4325759 0.80 MEN1 (0.83) MEN1KMT2AMAPTGAATSHR

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
EP-1230232-B1 SUBSTITUTED 4H-CHROMENE AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CYTOVIA INC (US) 2004-02-25 EP claimed