SCHEMBL7470331

SCHEMBL7470331

COc1cccc2cc(C(=O)N3C[C@@H](CCl)c4c3cc(O)c3[nH]c(C(F)(F)F)c(C(=O)O)c43)oc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.36
RECQL P46063 1/20 0.36
KMT2A Q03164 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 3/20 0.36
RXFP1 Q9HBX9 1/20 0.36
CHRNA7 P36544 1/20 0.36
DPP4 P27487 1/20 0.35
DPP9 Q86TI2 1/20 0.35
MAPT P10636 3/20 0.34
HTT P42858 1/20 0.34
KDM4E B2RXH2 3/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA3 P07451 1/20 0.33
CA4 P22748 1/20 0.33

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
SCHEMBL7474788 0.89 P4HB (0.34)
SCHEMBL7463040 0.89 ADH1A (0.33)
SCHEMBL6627433 0.87 MAPT (0.38) KMT2ANPC1RAB9ARXFP1CHRNA7
SCHEMBL7474728 0.86 MGLL (0.35) NPC1RAB9A
SCHEMBL7470246 0.86 HRH3 (0.34) ALDH1A1KDM4ECA12CA1CA2
SCHEMBL7458475 0.82 P4HB (0.34)
SCHEMBL7468851 0.82 MAPT (0.38) KMT2ANPC1RAB9ARXFP1CHRNA7
SCHEMBL7475427 0.79 KMT2A (0.33) KMT2ANPC1RAB9AMEN1MAPT
SCHEMBL7473569 0.79 P4HB (0.34) MAPTKDM4EPOLB
SCHEMBL16349708 0.78 CHRNA7 (0.34) LMNARECQLKMT2AMEN1ALDH1A1

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