SCHEMBL24268653

SCHEMBL24268653

Pc1nn(C2CCCCO2)c2ccc(Br)cc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.37
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
ALDH1A1 P00352 3/20 0.35
MAPK1 P28482 2/20 0.35
LMNA P02545 2/20 0.35
TP53 P04637 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CYP4F2 P78329 3/20 0.34
CYP4A11 Q02928 3/20 0.34
GAA P10253 1/20 0.33
RET P07949 2/20 0.33
ALOX15 P16050 1/20 0.32
CNR2 P34972 1/20 0.32
POLB P06746 2/20 0.32
CDK1 P06493 1/20 0.32
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31

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
SCHEMBL30182911 0.87 MAPT (0.38) MAPTRXRARXRBRXRGALDH1A1
SCHEMBL18281904 0.85 GAA (0.41) MAPTRXRARXRBRXRGALDH1A1
SCHEMBL767404 0.85 CYP4F2 (0.39) MAPTRXRARXRBRXRGALDH1A1
SCHEMBL9904367 0.85 MAPT (0.37) MAPTRXRARXRBRXRGALDH1A1
SCHEMBL15744178 0.85 CYP4F2 (0.39) MAPTRXRARXRBRXRGALDH1A1
SCHEMBL30615352 0.85 MAPT (0.37) MAPTRXRARXRBRXRGALDH1A1
SCHEMBL660435 0.82 ALDH1A1 (0.36) MAPTRXRARXRBRXRGALDH1A1
SCHEMBL14800689 0.81 RXRA (0.37) MAPTRXRARXRBRXRGALDH1A1
SCHEMBL659294 0.81 ATR (0.38) MAPTRXRARXRBRXRGALDH1A1
SCHEMBL23219108 0.81 RXRA (0.39) MAPTRXRARXRBRXRGALDH1A1

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-3981766-A1 INDAZOLE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER Eisai R&D Management Co., Ltd. (JP) 2022-04-13 EP disclosed