SCHEMBL7556575

SCHEMBL7556575

CCOC(=O)c1c(C(F)(F)F)[nH]c2c(OC(=O)N3CCN(C)CC3)cc3c(c12)C(CCl)CN3C(=O)c1cc2cc(NC(=O)c3cc4ccccc4o3)ccc2[nH]1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.36
RAB9A P51151 6/20 0.36
MAPK1 P28482 5/20 0.36
KMT2A Q03164 5/20 0.36
NPC1 O15118 5/20 0.36
HSD17B10 Q99714 4/20 0.36
MEN1 O00255 4/20 0.36
TSHR P16473 3/20 0.36
CASP3 P42574 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
SMN1; SMN2 Q16637 6/20 0.35
LMNA P02545 4/20 0.35
HTT P42858 4/20 0.35
NPSR1 Q6W5P4 4/20 0.35
TP53 P04637 4/20 0.35
KDM4E B2RXH2 3/20 0.35
USP2 O75604 2/20 0.35
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34

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
SCHEMBL7556894 0.95 MAPT (0.36) MAPTRAB9AMAPK1KMT2ANPC1
SCHEMBL7468511 0.87 HRH4 (0.36) MAPTRAB9AKMT2ANPC1MEN1
Hydrochloric Acid SCHEMBL7462551 0.86 FLT3 (0.37) MAPTRAB9AKMT2ANPC1MEN1
SCHEMBL7464789 0.86 KDM4E (0.36) MAPTKDM4ESYKHRH4
SCHEMBL7467851 0.84 SYK (0.36) SYK
SCHEMBL7467710 0.84 KMT2A (0.36) MAPTRAB9AMAPK1KMT2ANPC1
SCHEMBL7461465 0.84 ABCB1 (0.33) SYKHRH4
SCHEMBL7470149 0.83 SYK (0.36) SYK
SCHEMBL7470059 0.82 P4HB (0.37) SYKHRH4
SCHEMBL7470446 0.80 SYK (0.35) SYKHRH4

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 2 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
EP-0656360-A1 TRIFLUOROMETHYLPYRROLOINDOLE CARBOXYLIC ESTER DERIVATIVE AND PROCESS FOR PRODUCING THE SAME KYORIN PHARMACEUTICAL CO., LTD. (JP) 1995-06-07 EP disclosed