SCHEMBL29414701

SCHEMBL29414701

Cc1cc(C)cc(-c2n[nH]c(=O)[nH]c2=O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYMP P19971 1/20 0.47
NOTUM Q6P988 3/20 0.44
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
BTK Q06187 2/20 0.36
P2RX7 Q99572 1/20 0.34
GRIN2D O15399 2/20 0.34
GRIN3B O60391 2/20 0.34
GRIN1 Q05586 2/20 0.34
GRIN2A Q12879 2/20 0.34
GRIN2B Q13224 2/20 0.34
GRIN2C Q14957 2/20 0.34
GRIN3A Q8TCU5 2/20 0.34
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
POLB P06746 1/20 0.33
KDM4E B2RXH2 1/20 0.33
RAB9A P51151 1/20 0.33
PARP1 P09874 1/20 0.33

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
SCHEMBL30719637 0.73 ATM (0.66) LMNATSHRHSD17B10POLBKDM4E
SCHEMBL4722654 0.73 ATM (0.66) LMNATSHRHSD17B10POLBKDM4E
SCHEMBL2899875 0.72 ATM (0.60) BTKLMNAHSD17B10POLBKDM4E
SCHEMBL29414785 0.69 THRA (0.44) TYMPNOTUMTHRATHRBGRIN1
SCHEMBL4354117 0.67 MEN1 (0.54) NOTUMLMNAHSD17B10POLBKDM4E
SCHEMBL814784 0.65
SCHEMBL725368 0.65 PDE3B (0.40) TYMPNOTUMHSD17B10KDM4EXDH
SCHEMBL8268404 0.63 BTK (0.61) TYMPNOTUMBTKRAB9AXDH
SCHEMBL11685231 0.62 ITK (0.49) KDM4EHPGD
SCHEMBL20247822 0.61 NOTUM (0.36) TYMPNOTUMPOLB

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-3965884-A1 MODULATORS OF THR-BETA AND METHODS OF USE THEREOF Aligos Therapeutics, Inc. (US) 2022-03-16 EP disclosed