SCHEMBL22213635

SCHEMBL22213635

C=C/C=C(\C=C)COc1ccc(NS(=O)(=O)c2ccc3ccccc3c2)c(C(=O)OC)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
POLB P06746 4/20 0.51
ALDH1A1 P00352 3/20 0.51
MAPT P10636 2/20 0.51
BLM P54132 1/20 0.51
RAPGEF3 O95398 2/20 0.48
PLAU P00749 2/20 0.44
GAA P10253 2/20 0.42
MCL1 Q07820 3/20 0.42
BCL2A1 Q16548 3/20 0.42
BCL2 P10415 1/20 0.42
BCL2L1 Q07817 1/20 0.42
LMNA P02545 6/20 0.41
AGTR1 P30556 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
HTT P42858 2/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40

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
SCHEMBL22213636 0.80 POLB (0.52) MEN1KMT2APOLBALDH1A1MAPT
SCHEMBL22762345 0.80 MCL1 (0.53) MEN1KMT2APOLBALDH1A1MAPT
SCHEMBL18151726 0.75 KMT2A (0.67) MEN1KMT2APOLBALDH1A1PLAU
SCHEMBL18151774 0.71 PLAU (0.55) MEN1KMT2APOLBALDH1A1MAPT
SCHEMBL22213615 0.70 MCL1 (0.64) MEN1KMT2APOLBALDH1A1MAPT
SCHEMBL18151899 0.70 MCL1 (0.81) MEN1KMT2APOLBPLAUGAA
SCHEMBL22762666 0.70 MCL1 (0.60) MEN1KMT2APOLBALDH1A1MAPT
SCHEMBL18152544 0.68 PLAU (0.51) MEN1KMT2APOLBALDH1A1MAPT
SCHEMBL18151728 0.67 BCL2L1 (0.49) MEN1KMT2APOLBPLAUGAA
SCHEMBL22213510 0.67 MCL1 (0.50) MEN1KMT2APOLBALDH1A1MAPT

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-3680232-A1 NOVEL ANTHRANILIC ACID-BASED COMPOUND, AND Pin1 INHIBITOR, THERAPEUTIC AGENT FOR INFLAMMATORY DISEASES AND THERAPEUTIC AGENT FOR CANCER THAT USE THE SAME Hiroshima University (JP) 2020-07-15 EP disclosed