SCHEMBL23319482

SCHEMBL23319482

COc1ccc(CN2C(=O)CCCC2=O)cc1-n1c2ccccc2c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 5/20 0.46
HCRTR2 O43614 5/20 0.46
KMT2A Q03164 4/20 0.46
ALDH1A1 P00352 1/20 0.45
TP53 P04637 1/20 0.42
MAPT P10636 2/20 0.41
LMNA P02545 2/20 0.41
GAA P10253 2/20 0.41
MEN1 O00255 3/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL22609516 0.84 HCRTR1 (0.38) HCRTR1HCRTR2KMT2AALDH1A1TP53
SCHEMBL22609555 0.80 MDH2 (0.38) HCRTR1HCRTR2KMT2AALDH1A1MAPT
SCHEMBL23319539 0.80 MAT2A (0.40) HCRTR1HCRTR2KMT2AALDH1A1MAPT
SCHEMBL22609653 0.78 KMT2A (0.39) HCRTR1HCRTR2KMT2AALDH1A1GAA
SCHEMBL30830857 0.78 KMT2A (0.71) KMT2AALDH1A1LMNAMEN1SMN1; SMN2
SCHEMBL3793071 0.75 KMT2A (0.55) KMT2AALDH1A1LMNAMEN1CYP1A2
SCHEMBL15906095 0.70 KMT2A (0.46) HCRTR1HCRTR2KMT2AALDH1A1TP53
SCHEMBL15455938 0.70 MAPT (0.68) KMT2AALDH1A1TP53MAPTLMNA
SCHEMBL1735130 0.70 MAPT (0.68) KMT2AALDH1A1MAPTLMNAGAA
SCHEMBL26641362 0.69 KMT2A (0.48) KMT2AALDH1A1MAPTLMNASMN1; SMN2

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-3817748-A1 TRICYCLIC CRBN LIGANDS AND USES THEREOF Kymera Therapeutics, Inc. (US) 2021-05-12 EP disclosed