SCHEMBL7475427

SCHEMBL7475427

COc1cccc2oc(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)cc12

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.33
RAB9A P51151 2/20 0.33
NPC1 O15118 1/20 0.33
MMP2 P08253 1/20 0.33
MMP13 P45452 1/20 0.33
ABCB1 P08183 6/20 0.32
DUSP3 P51452 1/20 0.31
PTPN11 Q06124 1/20 0.31
CACNA1B Q00975 3/20 0.31
APBA1 Q02410 3/20 0.31
TP53 P04637 1/20 0.31
MEN1 O00255 2/20 0.31
MAPT P10636 2/20 0.31
KDM4E B2RXH2 1/20 0.31
PYGL P06737 1/20 0.30
F11 P03951 3/20 0.30

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
SCHEMBL6627433 0.92 MAPT (0.38) KMT2ARAB9ANPC1MMP2ABCB1
SCHEMBL7464956 0.89 KDM4E (0.35) KMT2ARAB9ANPC1TP53MEN1
SCHEMBL7465517 0.89 KDM4E (0.36) KMT2ARAB9ANPC1MMP2TP53
SCHEMBL7461868 0.88 ABCB1 (0.32) RAB9ANPC1ABCB1KDM4EPYGL
SCHEMBL7473667 0.88 PYGL (0.33) ABCB1PYGLF11
SCHEMBL7473569 0.88 P4HB (0.34) ABCB1MAPTKDM4EF11
SCHEMBL7468851 0.88 MAPT (0.38) KMT2ARAB9ANPC1MMP2ABCB1
SCHEMBL7463040 0.87 ADH1A (0.33)
SCHEMBL7467710 0.87 KMT2A (0.36) KMT2ARAB9ANPC1CACNA1BAPBA1
SCHEMBL7471301 0.85 CNR1 (0.31) KMT2ANPC1MEN1MAPTKDM4E

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