SCHEMBL7468511

SCHEMBL7468511

COc1ccc2cc(C(=O)Nc3ccc4[nH]c(C(=O)N5C[C@@H](CCl)c6c5cc(OC(=O)N5CCN(C)CC5)c5[nH]c(C(F)(F)F)c(C(=O)O)c65)cc4c3)oc2c1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 4/20 0.36
SYK P43405 4/20 0.33
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
FLT3 P36888 2/20 0.32
HRH1 P35367 1/20 0.32
ABCB1 P08183 2/20 0.32
KDM4E B2RXH2 5/20 0.32
MAPT P10636 3/20 0.32
ALDH1A1 P00352 2/20 0.32
AKR1C3 P42330 1/20 0.32
PRNP P04156 1/20 0.32
GAA P10253 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31

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
Hydrochloric Acid SCHEMBL7462551 0.95 FLT3 (0.37) HRH4SYKNPC1RAB9AFLT3
SCHEMBL7464789 0.90 KDM4E (0.36) HRH4SYKABCB1KDM4EMAPT
SCHEMBL7461465 0.90 ABCB1 (0.33) HRH4SYKABCB1
SCHEMBL7464956 0.89 KDM4E (0.35) NPC1RAB9AKDM4EMAPTALDH1A1
SCHEMBL7556575 0.87 MAPT (0.36) HRH4SYKNPC1RAB9AKDM4E
SCHEMBL7470149 0.85 SYK (0.36) SYK
SCHEMBL7465517 0.84 KDM4E (0.36) NPC1RAB9AFLT3KDM4EMAPT
Hydrochloric Acid SCHEMBL7469085 0.83 KDM4E (0.36) SYKKDM4EMAPTALDH1A1
SCHEMBL7464530 0.83 SYK (0.34) HRH4SYKABCB1
SCHEMBL6628904 0.82 KDM4E (0.34) KDM4EMAPT

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