SCHEMBL7465952

SCHEMBL7465952

COc1cc2[nH]c(C(=O)Nc3ccc4[nH]c(C(=O)O)cc4c3)cc2c(OC)c1OC

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.68
MEN1 O00255 2/20 0.68
TP53 P04637 2/20 0.51
POLB P06746 3/20 0.51
NPC1 O15118 4/20 0.49
RAB9A P51151 4/20 0.49
KDM4E B2RXH2 3/20 0.49
ALDH1A1 P00352 2/20 0.49
SMO Q99835 1/20 0.49
PRNP P04156 1/20 0.49
GAA P10253 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
PYGL P06737 1/20 0.48
IDO1 P14902 1/20 0.48
TDO2 P48775 1/20 0.48
MAPT P10636 2/20 0.48
LMNA P02545 1/20 0.47
HPGD P15428 1/20 0.47
NHERF1 O14745 1/20 0.47
RXFP1 Q9HBX9 1/20 0.45

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
SCHEMBL7468908 0.87 KDM4E (0.66) KMT2AMEN1TP53POLBNPC1
SCHEMBL7459837 0.82 MEN1 (0.46) KMT2AMEN1TP53POLBNPC1
SCHEMBL2908763 0.81 KDM4E (0.59) KMT2AMEN1POLBRAB9AKDM4E
SCHEMBL7475126 0.80 KDM4E (0.46) KMT2AMEN1TP53POLBNPC1
SCHEMBL8205048 0.78 NHERF1 (0.64) KMT2AMEN1TP53POLBNPC1
SCHEMBL7533561 0.75 NPC1 (0.74) TP53POLBNPC1RAB9AKDM4E
SCHEMBL8205586 0.75 NHERF1 (0.68) KMT2AMEN1TP53POLBNPC1
SCHEMBL9410572 0.75 POLB (0.57) KMT2AMEN1TP53POLBNPC1
SCHEMBL8204182 0.75 NHERF1 (0.60) KMT2AMEN1TP53POLBNPC1
SCHEMBL5897662 0.74 NHERF1 (0.56) KMT2AMEN1TP53POLBNPC1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0656360-B1 TRIFLUOROMETHYLPYRROLOINDOLE CARBOXYLIC ESTER DERIVATIVE AND PROCESS FOR PRODUCING THE SAME KYORIN SEIYAKU KK (JP) 2002-11-20 EP disclosed
US-5629430-A ANTICARCINOGENIC AGENTS KYORIN PHARMACEUTICAL CO., LTD. (JP) 1997-05-13 US disclosed
EP-0656360-A1 TRIFLUOROMETHYLPYRROLOINDOLE CARBOXYLIC ESTER DERIVATIVE AND PROCESS FOR PRODUCING THE SAME KYORIN PHARMACEUTICAL CO., LTD. (JP) 1995-06-07 EP disclosed