SCHEMBL19987543

SCHEMBL19987543

CC(=O)c1ccc(OCc2ccccc2N(N)C(=O)NN)c(C)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.43
ALDH1A1 P00352 4/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.39
RXFP1 Q9HBX9 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
FFAR4 Q5NUL3 2/20 0.38
FFAR1 O14842 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ADRB2 P07550 1/20 0.38
SYK P43405 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAOA P21397 1/20 0.37
CD274 Q9NZQ7 1/20 0.37
AURKB Q96GD4 1/20 0.36
INCENP Q9NQS7 1/20 0.36

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
SCHEMBL19987563 0.88 MRGPRX4 (0.44) ALDH1A1LMNAPOLBFFAR4FFAR1
SCHEMBL19987541 0.81 MRGPRX4 (0.32) FFAR4FFAR1CD274
SCHEMBL19987586 0.80 MRGPRX4 (0.38) ALDH1A1LMNAMEN1KMT2AFFAR4
SCHEMBL19987565 0.79 ELANE (0.35) ALDH1A1MEN1KMT2AGAAMAPT
SCHEMBL19987600 0.76 MRGPRX4 (0.44) ALDH1A1FFAR4GAAMAPTSMN1; SMN2
SCHEMBL19987564 0.76 MRGPRX4 (0.35) ALDH1A1MEN1KMT2AFFAR4MAPT
SCHEMBL19987597 0.75 SMN1; SMN2 (0.43) MAOBMEN1KMT2AFFAR4FFAR1
SCHEMBL6955580 0.75 ALDH1A1 (0.61) MAOBALDH1A1LMNAPOLBRXFP1
SCHEMBL22059408 0.75 MRGPRX4 (0.44) ALDH1A1MAPT
SCHEMBL19987547 0.75 HPGD (0.35) ALDH1A1POLBMEN1KMT2AMAPT

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