SCHEMBL29562016

SCHEMBL29562016

CCOC(=O)C(C)(C)OCc1nn(Cc2ccccc2)c2ccccc12

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 5/20 0.78
F2RL3 Q96RI0 1/20 0.53
ALDH1A1 P00352 1/20 0.50
CNR1 P21554 1/20 0.44
ACHE P22303 1/20 0.44
CNR2 P34972 1/20 0.44
SCN8A Q9UQD0 1/20 0.43
MCTS1 Q9ULC4 3/20 0.43
SLC16A1 P53985 2/20 0.43
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
NCOR2 Q9Y618 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL22832593 1.00 SLC16A3 (0.78) SLC16A3F2RL3ALDH1A1CNR1ACHE
SCHEMBL927459 0.89 SLC16A3 (0.81) SLC16A3F2RL3ALDH1A1CNR1ACHE
Bindarit SCHEMBL29387325 0.88 SLC16A3 (1.00) SLC16A3F2RL3CNR1ACHECNR2
Bindarit SCHEMBL187885 0.88 SLC16A3 (1.00) SLC16A3F2RL3CNR1ACHECNR2
Bindarit SCHEMBL371677 0.86 SLC16A3 (0.98) SLC16A3F2RL3CNR1ACHECNR2
SCHEMBL15372292 0.86 SLC16A3 (0.84) SLC16A3F2RL3ALDH1A1CNR1ACHE
SCHEMBL1650741 0.85 SLC16A3 (0.83) SLC16A3F2RL3ALDH1A1CNR1ACHE
SCHEMBL1651327 0.83 SLC16A3 (0.79) SLC16A3F2RL3ALDH1A1CNR1ACHE
SCHEMBL928508 0.83 SLC16A3 (0.87) SLC16A3F2RL3CNR1ACHECNR2
SCHEMBL1651388 0.83 SLC16A3 (0.78) SLC16A3F2RL3ALDH1A1CNR1ACHE

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-3990433-A1 PROCESSES OF MAKING 2-((1-BENZYL-1H-INDAZOL-3-YL)METHOXY)-2-METHYLPROPANOIC ACID AND ITS DERIVATIVES Translatum Medicus Inc. (CA) 2022-05-04 EP disclosed