SCHEMBL7464789

SCHEMBL7464789

COc1cccc2cc(C(=O)Nc3ccc4[nH]c(C(=O)N5C[C@@H](CCl)c6c5cc(OC(=O)N5CCN(C)CC5)c5[nH]c(C(F)(F)F)c(C(=O)O)c65)cc4c3)oc12

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.36
MAPT P10636 2/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.33
ABCB1 P08183 9/20 0.33
HRH4 Q9H3N8 3/20 0.33
RXFP1 Q9HBX9 1/20 0.33
CHRNA7 P36544 1/20 0.33
DRD2 P14416 1/20 0.32
DRD3 P35462 1/20 0.32
SYK P43405 1/20 0.32

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
Hydrochloric Acid SCHEMBL7469085 0.93 KDM4E (0.36) KDM4EMAPTPTGDR2RXFP1CHRNA7
SCHEMBL7461465 0.93 ABCB1 (0.33) ABCB1HRH4SYK
SCHEMBL6628904 0.92 KDM4E (0.34) KDM4EMAPTPTGDR2RXFP1CHRNA7
Hydrochloric Acid SCHEMBL7467807 0.92 FLT3 (0.38) KDM4EMAPTPTGDR2ABCB1CHRNA7
SCHEMBL6629514 0.91 KDM4E (0.34) KDM4EMAPTPTGDR2RXFP1CHRNA7
SCHEMBL6627643 0.91 KDM4E (0.34) KDM4EMAPTPTGDR2ABCB1RXFP1
SCHEMBL6627433 0.90 MAPT (0.38) KDM4EMAPTPTGDR2ABCB1RXFP1
SCHEMBL7468511 0.90 HRH4 (0.36) KDM4EMAPTABCB1HRH4SYK
SCHEMBL8029324 0.90 KDM4E (0.34) KDM4EMAPTPTGDR2RXFP1CHRNA7
Hydrochloric Acid SCHEMBL7462551 0.89 FLT3 (0.37) KDM4EMAPTPTGDR2ABCB1HRH4

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