SCHEMBL7470902

SCHEMBL7470902

COC(=O)c1c(C(F)(F)F)[nH]c2c(OCc3ccccc3)cc3c(c12)C(CCl)CN3C(=O)OC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
YAP1 P46937 2/20 0.34
TACR1 P25103 2/20 0.33
TLR9 Q9NR96 4/20 0.33
TLR7 Q9NYK1 2/20 0.33
PAX8 Q06710 1/20 0.32
RORC P51449 2/20 0.32
MRGPRX4 Q96LA9 2/20 0.32
ATM Q13315 1/20 0.32
GHSR Q92847 1/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL7470036 0.93 YAP1 (0.34) HDAC1HDAC6YAP1TACR1TLR9
SCHEMBL7474754 0.93 TACR1 (0.33) YAP1TACR1TLR9TLR7MRGPRX4
SCHEMBL7463404 0.91 YAP1 (0.33) HDAC1HDAC6YAP1TACR1TLR9
SCHEMBL7460836 0.86 TACR1 (0.34) YAP1TACR1TLR9TLR7GHSR
SCHEMBL7466465 0.84 TACR1 (0.32) YAP1TACR1TLR9TLR7GHSR
SCHEMBL7474530 0.84 ADH1A (0.34) HDAC1HDAC6
SCHEMBL7466119 0.82
SCHEMBL9367604 0.81 YAP1 (0.35) HDAC1HDAC6YAP1TLR9TLR7
SCHEMBL7482550 0.80 TLR9 (0.34) YAP1TLR9TLR7GHSRMEN1
SCHEMBL16941959 0.80 TLR9 (0.34) YAP1TLR9TLR7GHSRMEN1

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