SCHEMBL8831002

SCHEMBL8831002

COC(=O)c1c(C(F)(F)F)[nH]c2c(O)cc3c(c12)C(CCl)CN3C(=O)c1cc2cc(NC(=O)c3cc4c(OC)c(OC)c(OC)cc4nn3)ccc2[nH]1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 3/20 0.33
P4HB P07237 1/20 0.33
HSP90AA1 P07900 1/20 0.33
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
RAB9A P51151 2/20 0.30
POLB P06746 1/20 0.30
KDM4E B2RXH2 1/20 0.30
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
PRNP P04156 1/20 0.30
GAA P10253 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
CFD P00746 1/20 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
SCHEMBL8831163 0.91 P4HB (0.34) ABCB1P4HBHSP90AA1MEN1KMT2A
SCHEMBL7458517 0.91 P4HB (0.34) ABCB1P4HBHSP90AA1MEN1KMT2A
SCHEMBL7462825 0.90 KMT2A (0.41) ABCB1P4HBHSP90AA1MEN1KMT2A
SCHEMBL7467645 0.89 P4HB (0.41) ABCB1P4HBHSP90AA1MEN1KMT2A
SCHEMBL7473629 0.87 P4HB (0.34) ABCB1P4HBHSP90AA1MEN1KMT2A
SCHEMBL7476015 0.86 P4HB (0.34) ABCB1P4HBHSP90AA1MEN1KMT2A
SCHEMBL7462648 0.85 KMT2A (0.41) ABCB1P4HBHSP90AA1MEN1KMT2A
SCHEMBL7468222 0.84 NPC1 (0.37) ABCB1RAB9AKDM4ENPC1ALDH1A1
SCHEMBL7470424 0.84 ABCB1 (0.33) ABCB1P4HBHSP90AA1MEN1KMT2A
SCHEMBL7459606 0.83 ABL1 (0.32) ABCB1RAB9AKDM4ENPC1ALDH1A1

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
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