SCHEMBL22609653

SCHEMBL22609653

COc1ccc(CN2C(=O)CCCC2=O)cc1-n1c(=O)oc2c(Br)cccc21

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HCRTR1 O43613 10/20 0.36
HCRTR2 O43614 10/20 0.36
HTT P42858 1/20 0.34
CYP1A2 P05177 1/20 0.34
GAA P10253 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 1/20 0.34

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
SCHEMBL23319482 0.78 HCRTR1 (0.46) KMT2AALDH1A1HCRTR1HCRTR2HTT
SCHEMBL3793071 0.75 KMT2A (0.55) KMT2AALDH1A1HTTCYP1A2CYP2C9
SCHEMBL22609516 0.74 HCRTR1 (0.38) KMT2AALDH1A1HCRTR1HCRTR2HTT
SCHEMBL30830857 0.71 KMT2A (0.71) KMT2AALDH1A1SMN1; SMN2MEN1
SCHEMBL22609555 0.70 MDH2 (0.38) KMT2AALDH1A1HCRTR1HCRTR2
SCHEMBL3796336 0.70 KMT2A (0.57) KMT2AALDH1A1HTTCYP1A2CYP2C9
SCHEMBL22609475 0.69 KMT2A (0.41) KMT2AALDH1A1HCRTR1HCRTR2GAA
SCHEMBL22609469 0.69 FADS1 (0.46) KMT2AALDH1A1HCRTR1HCRTR2
SCHEMBL26641362 0.67 KMT2A (0.48) KMT2AALDH1A1SMN1; SMN2
SCHEMBL23319539 0.67 MAT2A (0.40) KMT2AALDH1A1HCRTR1HCRTR2CYP1A2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4121043-A1 MDM2 DEGRADERS AND USES THEREOF Kymera Therapeutics, Inc. (US) 2023-01-25 EP disclosed
WO-2021188948-A1 MDM2 DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2021-09-23 WO disclosed
EP-3731869-A1 IRAK DEGRADERS AND USES THEREOF Kymera Therapeutics, Inc. (US) 2020-11-04 EP disclosed