SCHEMBL7465950

SCHEMBL7465950

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.39
HRH4 Q9H3N8 1/20 0.39
FPR2 P25090 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 4/20 0.37
MAPT P10636 2/20 0.37
ALDH1A1 P00352 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
DRD2 P14416 2/20 0.36
DRD3 P35462 2/20 0.36
PDGFRB P09619 1/20 0.36
PDGFRA P16234 1/20 0.36
PYGL P06737 1/20 0.36
PYGM P11217 1/20 0.36

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
SCHEMBL7468222 0.86 NPC1 (0.37) AKR1C3KDM4EMAPTALDH1A1NPC1
SCHEMBL7473460 0.86 ABCB1 (0.35) MEN1KMT2AKDM4ENPC1RAB9A
SCHEMBL7472655 0.85 PDGFRB (0.31) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL7459606 0.85 ABL1 (0.32) FPR2KDM4EALDH1A1NPC1RAB9A
SCHEMBL7460763 0.84 KDM4E (0.37) AKR1C3HRH4FPR2MEN1KMT2A
SCHEMBL7467645 0.84 P4HB (0.41) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL7467832 0.84 P4HB (0.47) KDM4EALDH1A1RAB9ALMNAHPGD
SCHEMBL7465517 0.84 KDM4E (0.36) AKR1C3MEN1KMT2AKDM4EMAPT
SCHEMBL7463553 0.84 KDM4E (0.36) AKR1C3HRH4FPR2MEN1KMT2A
SCHEMBL7462825 0.84 KMT2A (0.41) MEN1KMT2AKDM4EMAPTALDH1A1

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