SCHEMBL23728504

SCHEMBL23728504

Cc1cc(C(=O)O)nc2cccn12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 3/20 0.46
PTGS2 P35354 3/20 0.46
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 2/20 0.43
GLA P06280 1/20 0.43
ATM Q13315 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
GAA P10253 4/20 0.42
METTL3 Q86U44 2/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTT P42858 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
PIM1 P11309 1/20 0.39
PIM3 Q86V86 1/20 0.39

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
SCHEMBL4257194 0.83 ALDH1A1 (0.50) PTGS1PTGS2KMT2AKDM4EGLA
SCHEMBL8247383 0.77 KDM4E (0.48) PTGS1PTGS2KMT2AKDM4EGLA
SCHEMBL22499335 0.77 KDM4E (0.57) PTGS1PTGS2KMT2AKDM4EGLA
Hydrochloric Acid SCHEMBL22499322 0.75 KDM4E (0.56) PTGS1PTGS2KMT2AKDM4EGLA
SCHEMBL8253920 0.75 KDM4E (0.40) PTGS1PTGS2KMT2AKDM4EGLA
SCHEMBL119926 0.75 GAA (0.66) PTGS1PTGS2KMT2AKDM4EGAA
SCHEMBL21893768 0.74 KDM4E (0.43) KMT2AKDM4EGLAGAAALDH1A1
Hydrochloric Acid SCHEMBL31014617 0.74 PTGS1 (0.51) PTGS1PTGS2KMT2AKDM4EGLA
SCHEMBL13162050 0.72 PTGS1 (0.39) PTGS1PTGS2KMT2AKDM4EGLA
SCHEMBL20851163 0.72 ALDH1A1 (0.41) KMT2AKDM4EGLAGAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4100004-A1 IRAK DEGRADERS AND USES THEREOF Kymera Therapeutics, Inc. (US) 2022-12-14 EP disclosed
WO-2021158634-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2021-08-12 WO disclosed