SCHEMBL19987547

SCHEMBL19987547

CCOC(=O)c1c(C)c(-c2ccc(OCc3ccccc3N(N)C(=O)NN)c(C)c2)nn1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.35
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
CD274 Q9NZQ7 6/20 0.33
MRGPRX4 Q96LA9 1/20 0.33
SLC34A1 Q06495 2/20 0.33
ALDH1A1 P00352 3/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2C9 P11712 2/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
POLB P06746 1/20 0.32
PKM P14618 1/20 0.32
APEX1 P27695 1/20 0.32
CYP2C19 P33261 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL19987585 0.89 HPGD (0.35) HPGDCD274MRGPRX4ALDH1A1CYP3A4
SCHEMBL19987559 0.81 MRGPRX4 (0.34) HPGDCD274MRGPRX4ALDH1A1MAPT
SCHEMBL19987560 0.80 CD274 (0.35) HPGDCD274MRGPRX4
SCHEMBL19987537 0.80 KDM4E (0.33) HPGDCD274MRGPRX4ALDH1A1CYP3A4
SCHEMBL19987551 0.80 CD274 (0.39) CD274MRGPRX4
SCHEMBL16273679 0.79 HPGD (0.36) HPGDPSEN1PSEN2APH1BNCSTN
SCHEMBL18831537 0.78 NR1H4 (0.37) MRGPRX4SLC34A1ALDH1A1PKM
SCHEMBL28048667 0.76 MRGPRX4 (0.40) HPGDPSEN1PSEN2APH1BNCSTN
SCHEMBL19987563 0.76 MRGPRX4 (0.44) HPGDMRGPRX4ALDH1A1TP53MAPT
SCHEMBL19987543 0.75 MAOB (0.43) CD274ALDH1A1MAPTPOLBL3MBTL1

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-3006440-B1 TETRAZOLINONE COMPOUND AND APPLICATION OF SAME SUMITOMO CHEMICAL CO (JP) 2018-03-21 EP disclosed