SCHEMBL30734291

SCHEMBL30734291

COC(=O)c1ccc2c(c1)CCN[C@@H]2c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.65
KMT2A Q03164 2/20 0.65
KDM1A O60341 5/20 0.53
PRCP P42785 2/20 0.52
GAA P10253 1/20 0.51
DRD2 P14416 1/20 0.49
DRD1 P21728 1/20 0.49
GID4 Q8IVV7 1/20 0.48
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
RECQL P46063 1/20 0.45
CHRNB2 P17787 1/20 0.44
CHRNA4 P43681 1/20 0.44

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
SCHEMBL27276907 1.00 MEN1 (0.65) MEN1KMT2AKDM1APRCPGAA
SCHEMBL30710370 0.90 MEN1 (0.65) MEN1KMT2AKDM1APRCPGAA
SCHEMBL27969852 0.82 MAPKAPK2 (0.57) MEN1KMT2ACA1CA2CA7
Toluene SCHEMBL28038158 0.81 MEN1 (0.49) MEN1KMT2ADRD2CHRNB2CHRNA4
SCHEMBL3818749 0.81 MEN1 (0.56) MEN1KMT2ADRD2CHRNB2CHRNA4
SCHEMBL30710364 0.80 KMT2A (0.52) MEN1KMT2AKDM1ACA1CA2
SCHEMBL29560484 0.78 MEN1 (0.65) MEN1KMT2AKDM1APRCPGID4
SCHEMBL22784451 0.78 MEN1 (0.65) MEN1KMT2AKDM1APRCPGID4
SCHEMBL30710343 0.77 CHRNB2 (0.44) MEN1KMT2AGAACA1CA2
SCHEMBL30710485 0.77 CHRNB2 (0.44) MEN1KMT2AGAACA1CA2

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-2023250399-A1 TREX1 INHIBITORS AND USES THEREOF TEMPEST THERAPEUTICS, INC. (US) 2023-12-28 WO disclosed