SCHEMBL24969126

SCHEMBL24969126

Fc1cc(Br)ccc1C1COc2ccccc2N1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.40
KDM1B Q8NB78 1/20 0.40
GAA P10253 1/20 0.39
CYP19A1 P11511 2/20 0.34
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
AHR P35869 1/20 0.33
DPP4 P27487 2/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL30152247 1.00 KDM1A (0.40) KDM1AKDM1BGAACYP19A1DRD2
SCHEMBL24969124 0.84 GAA (0.36) GAACYP19A1MEN1LMNAMAPT
SCHEMBL14840700 0.77 BACE1 (0.32) KDM1AKDM1BCYP19A1MEN1LMNA
SCHEMBL14840513 0.74 MEN1 (0.39) GAAMEN1MAPTKMT2A
SCHEMBL24969059 0.74 EGFR (0.42) RAB9A
SCHEMBL14840478 0.73 MAPT (0.37) GAACYP19A1DRD2DRD3MEN1
SCHEMBL5451243 0.73 MEN1 (0.49) GAACYP19A1MEN1LMNAMAPT
SCHEMBL6436184 0.73 MEN1 (0.49) GAACYP19A1MEN1LMNAMAPT
SCHEMBL29903416 0.73 MEN1 (0.49) GAACYP19A1MEN1LMNAMAPT
SCHEMBL24969123 0.71 BRD4 (0.42)

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-2023009785-A1 TEAD INHIBITORS AND USES THEREOF CEDILLA THERAPEUTICS, INC. (US) 2023-02-02 WO disclosed