SCHEMBL7467710

SCHEMBL7467710

COC(=O)c1c(C(F)(F)F)[nH]c2c(O)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
KMT2A Q03164 11/20 0.36
RAB9A P51151 10/20 0.36
NPC1 O15118 9/20 0.36
MEN1 O00255 8/20 0.36
CACNA1B Q00975 3/20 0.35
APBA1 Q02410 3/20 0.35
MAPT P10636 5/20 0.35
TP53 P04637 4/20 0.35
MAPK1 P28482 4/20 0.35
TSHR P16473 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
LMNA P02545 3/20 0.35
HSD17B10 Q99714 3/20 0.35
KDM4E B2RXH2 2/20 0.35
USP2 O75604 2/20 0.35
HTT P42858 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 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
SCHEMBL7466456 0.94 KMT2A (0.36) KMT2ARAB9ANPC1MEN1CACNA1B
SCHEMBL7468851 0.91 MAPT (0.38) KMT2ARAB9ANPC1MAPTTP53
SCHEMBL7468222 0.91 NPC1 (0.37) RAB9ANPC1MAPTSMN1; SMN2LMNA
SCHEMBL7473460 0.89 ABCB1 (0.35) KMT2ARAB9ANPC1MEN1KDM4E
SCHEMBL7472655 0.88 PDGFRB (0.31) KMT2AMEN1MAPTHSD17B10KDM4E
SCHEMBL7464956 0.88 KDM4E (0.35) KMT2ARAB9ANPC1MEN1MAPT
SCHEMBL7465517 0.88 KDM4E (0.36) KMT2ARAB9ANPC1MEN1MAPT
SCHEMBL7459606 0.87 ABL1 (0.32) RAB9ANPC1KDM4EALDH1A1L3MBTL1
SCHEMBL7475427 0.87 KMT2A (0.33) KMT2ARAB9ANPC1MEN1CACNA1B
SCHEMBL6627433 0.87 MAPT (0.38) KMT2ARAB9ANPC1MAPTTP53

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