SCHEMBL7468908

SCHEMBL7468908

COc1cc2cc(C(=O)Nc3ccc4[nH]c(C(=O)O)cc4c3)[nH]c2c(OC)c1OC

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.66
ALDH1A1 P00352 2/20 0.66
LMNA P02545 1/20 0.66
HPGD P15428 1/20 0.66
TP53 P04637 2/20 0.51
POLB P06746 4/20 0.51
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
NPC1 O15118 4/20 0.49
RAB9A P51151 4/20 0.49
MAPT P10636 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
NHERF1 O14745 2/20 0.47
RXFP1 Q9HBX9 1/20 0.45
MAOB P27338 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
SCHEMBL7465952 0.87 KMT2A (0.68) KDM4EALDH1A1LMNAHPGDTP53
SCHEMBL7475126 0.82 KDM4E (0.46) KDM4EALDH1A1LMNAHPGDTP53
SCHEMBL1771123 0.81 HPGD (1.00) KDM4EALDH1A1LMNAHPGDPOLB
SCHEMBL7459837 0.80 MEN1 (0.46) KDM4EALDH1A1LMNAHPGDTP53
Hydrochloric Acid SCHEMBL3555727 0.80 HPGD (0.97) KDM4EALDH1A1LMNAHPGDPOLB
SCHEMBL7533561 0.75 NPC1 (0.74) KDM4ELMNAHPGDTP53POLB
SCHEMBL8205586 0.75 NHERF1 (0.68) KDM4EALDH1A1LMNAHPGDTP53
SCHEMBL8205048 0.75 NHERF1 (0.64) KDM4EALDH1A1LMNAHPGDTP53
SCHEMBL9410572 0.75 POLB (0.57) KDM4EALDH1A1TP53POLBKMT2A
SCHEMBL5897662 0.74 NHERF1 (0.56) KDM4EALDH1A1LMNAHPGDTP53

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