SCHEMBL11216019

SCHEMBL11216019

CCOC(=O)c1ccc(Nc2cccc(OC(F)(F)C(F)F)c2)c([N+](=O)[O-])c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.55
HPGD P15428 2/20 0.55
KMT2A Q03164 3/20 0.53
ALDH1A1 P00352 4/20 0.53
RAB9A P51151 2/20 0.53
NPC1 O15118 1/20 0.53
PKM P14618 1/20 0.53
CRHBP P24387 1/20 0.53
CRHR2 Q13324 1/20 0.53
LMNA P02545 3/20 0.52
KDM4E B2RXH2 1/20 0.52
POLB P06746 1/20 0.52
PTGER4 P35408 1/20 0.50
AKR1B1 P15121 2/20 0.48
AKR1C4 P17516 2/20 0.48
AKR1C3 P42330 2/20 0.48
AKR1C2 P52895 2/20 0.48
AKR1C1 Q04828 2/20 0.48
AKR1B10 O60218 1/20 0.46
GAA P10253 2/20 0.45

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
SCHEMBL15320701 0.81 HCAR3 (0.68) MAPTHPGDKMT2AALDH1A1RAB9A
SCHEMBL13243718 0.81 AKR1C4 (0.73) MAPTKMT2AALDH1A1RAB9ANPC1
SCHEMBL29703156 0.80 MAPT (0.66) MAPTHPGDKMT2ALMNAAKR1B1
SCHEMBL25351608 0.80 MAPT (0.66) MAPTHPGDKMT2ALMNAAKR1B1
SCHEMBL13243719 0.80 KMT2A (0.56) MAPTHPGDKMT2AALDH1A1RAB9A
SCHEMBL11121676 0.80 MAPT (0.52) MAPTHPGDKMT2AALDH1A1POLB
SCHEMBL2653630 0.79 KMT2A (0.60) MAPTHPGDKMT2AALDH1A1RAB9A
SCHEMBL11122331 0.79 MAPK1 (0.54) MAPTHPGDKMT2AALDH1A1PKM
SCHEMBL11125276 0.78 CETP (0.42) MAPTKMT2AALDH1A1RAB9ANPC1
SCHEMBL13243723 0.77 AKR1C3 (0.74) MAPTHPGDKMT2AALDH1A1RAB9A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4311710-A Anticoccidial formulation and method ELI LILLY AND COMPANY (US) 1982-01-19 US disclosed