SCHEMBL7463553

SCHEMBL7463553

COc1ccc2cnc(C(=O)Nc3ccc4[nH]c(C(=O)N5C[C@@H](CCl)c6c5cc(O)c5[nH]c(C(F)(F)F)c(C(=O)O)c65)cc4c3)cc2c1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.36
NPC1 O15118 4/20 0.36
RAB9A P51151 4/20 0.36
ALDH1A1 P00352 2/20 0.36
PRNP P04156 1/20 0.36
GAA P10253 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KMT2A Q03164 3/20 0.34
MAPT P10636 3/20 0.34
APP P05067 1/20 0.34
ACHE P22303 1/20 0.34
AKR1C3 P42330 1/20 0.34
FPR2 P25090 1/20 0.33
MEN1 O00255 2/20 0.32
DRD2 P14416 2/20 0.31
DRD3 P35462 2/20 0.31
SYK P43405 2/20 0.31
HRH4 Q9H3N8 1/20 0.31
TP53 P04637 1/20 0.31

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
SCHEMBL7460763 0.98 KDM4E (0.37) KDM4ENPC1RAB9AALDH1A1PRNP
SCHEMBL7469597 0.92 PYGL (0.32) NPC1RAB9ASYK
SCHEMBL7459606 0.89 ABL1 (0.32) KDM4ENPC1RAB9AALDH1A1PRNP
SCHEMBL7461868 0.89 ABCB1 (0.32) KDM4ENPC1RAB9AALDH1A1PRNP
SCHEMBL7473667 0.89 PYGL (0.33)
SCHEMBL7473629 0.88 P4HB (0.34) KDM4ENPC1RAB9AALDH1A1PRNP
SCHEMBL7464956 0.87 KDM4E (0.35) KDM4ENPC1RAB9AALDH1A1PRNP
SCHEMBL7465517 0.87 KDM4E (0.36) KDM4ENPC1RAB9AALDH1A1PRNP
SCHEMBL7466678 0.85 GABRA1 (0.34) KDM4ENPC1RAB9AALDH1A1KMT2A
SCHEMBL7463782 0.84 ABL1 (0.32) KDM4ENPC1RAB9AALDH1A1PRNP

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