SCHEMBL19987585

SCHEMBL19987585

CCOc1c(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
MEN1 O00255 2/20 0.34
CYP1A2 P05177 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CD274 Q9NZQ7 7/20 0.34
KDM4E B2RXH2 3/20 0.33
P2RX3 P56373 1/20 0.33
PSD A5PKW4 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C19 P33261 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MRGPRX4 Q96LA9 1/20 0.32
PKM P14618 1/20 0.32
TSHR P16473 1/20 0.32
POLB P06746 1/20 0.32
S1PR1 P21453 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
SCHEMBL19987547 0.89 HPGD (0.35) HPGDMEN1CYP1A2KMT2AALDH1A1
SCHEMBL19987559 0.87 MRGPRX4 (0.34) HPGDMEN1KMT2AALDH1A1CD274
SCHEMBL19987537 0.85 KDM4E (0.33) HPGDMEN1CYP1A2KMT2AALDH1A1
SCHEMBL19987563 0.77 MRGPRX4 (0.44) HPGDALDH1A1MAPTSMN1; SMN2MRGPRX4
SCHEMBL19987560 0.77 CD274 (0.35) HPGDCD274MRGPRX4S1PR1S1PR5
SCHEMBL19987551 0.76 CD274 (0.39) CD274MRGPRX4S1PR1S1PR5
SCHEMBL16273737 0.76 HPGD (0.36) HPGDMEN1CYP1A2KMT2AALDH1A1
SCHEMBL19987543 0.75 MAOB (0.43) MEN1KMT2AALDH1A1CD274MAPT
SCHEMBL18767159 0.73 CD274 (0.37) HPGDMEN1KMT2AALDH1A1CD274
SCHEMBL18433815 0.73 SMN1; SMN2 (0.40) HPGDMEN1CYP1A2KMT2AALDH1A1

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