SCHEMBL29475847

SCHEMBL29475847

CC(C)n1c(C(N)=O)cc2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PLA2G10 O15496 8/20 0.48
SLC9A1 P19634 1/20 0.48
MCL1 Q07820 1/20 0.47
DAO P14920 1/20 0.45
CCR2 P41597 1/20 0.45
F10 P00742 1/20 0.43
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
HTR4 Q13639 1/20 0.41
CNR2 P34972 1/20 0.41

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
SCHEMBL5823619 0.85 MCL1 (0.62) PLA2G10SLC9A1MCL1DAOCCR2
SCHEMBL29475799 0.82 CNR2 (0.44) PLA2G10SLC9A1MCL1DAOCCR2
SCHEMBL27580987 0.81 PLA2G10 (0.46) PLA2G10SLC9A1MCL1DAOCCR2
SCHEMBL7881984 0.81 ALDH1A1 (0.50) MCL1DAOF10ALDH1A1TSHR
SCHEMBL30337559 0.80 HTR4 (0.56) HTR4
SCHEMBL31257225 0.80 POLB (0.47) ALDH1A1TSHR
SCHEMBL7884814 0.80 KDM4E (0.46) MCL1DAOALDH1A1TSHRHTR4
SCHEMBL28264546 0.80 MCL1 (0.44) SLC9A1MCL1DAOALDH1A1TSHR
SCHEMBL27695396 0.78 CCR2 (0.41) PLA2G10SLC9A1MCL1DAOCCR2
SCHEMBL2323444 0.77 MCL1 (0.71) PLA2G10SLC9A1MCL1DAO

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-4216961-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF CORONAVIRUS INFECTION Lighthouse Pharmaceuticals, Inc. (US) 2023-08-02 EP disclosed
WO-2022066776-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF CORONAVIRUS INFECTION Cortexyme, Inc. (US) 2022-03-31 WO disclosed