SCHEMBL9820969

SCHEMBL9820969

CC(C)(C)NCOCc1cccc(F)c1F

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
PKM P14618 1/20 0.39
RIPK1 Q13546 2/20 0.38
IDO1 P14902 2/20 0.37
CXCR2 P25025 3/20 0.33
CCR7 P32248 1/20 0.33
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33
MCL1 Q07820 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
HTT P42858 1/20 0.31
CXCR1 P25024 1/20 0.31
GPR119 Q8TDV5 1/20 0.31
ALDH1A1 P00352 1/20 0.31
ALKBH1 Q13686 1/20 0.31
LMNA P02545 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
SCHEMBL5140181 0.78 IDO1 (0.45) RIPK1IDO1CXCR2CCR7TAAR1
SCHEMBL20255344 0.78 KMT2A (0.47) KMT2AMEN1PKMRIPK1CXCR2
SCHEMBL9821045 0.74 HTR2C (0.41) KMT2AMEN1PKMRIPK1IDO1
SCHEMBL17083344 0.74 RIPK1 (0.42) KMT2ARIPK1IDO1CXCR2CCR7
SCHEMBL3076782 0.72 BACE1 (0.40) KMT2AMEN1PKMRIPK1IDO1
SCHEMBL3160798 0.72 IDO1 (0.39) RIPK1IDO1CXCR2CCR7TAAR1
SCHEMBL2642685 0.71 IDO1 (0.42) KMT2AMEN1RIPK1IDO1CXCR2
SCHEMBL6867167 0.69 IDO1 (0.37) RIPK1IDO1CXCR2CCR7TAAR1
SCHEMBL29110930 0.69 L3MBTL1 (0.37) KMT2AMEN1RIPK1IDO1FFAR4
SCHEMBL17219419 0.68 RIPK1 (0.38) RIPK1IDO1CXCR2CCR7FFAR4

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
EP-0224001-B1 ANTHRANILONITRILE DERIVATIVES AND RELATED COMPOUNDS AS USEFUL AGENTS FOR PROMOTING GROWTH, IMPROVING FEED EFFICIENCY, AND FOR INCREASING THE LEAN MEAT TO FAT RATIO OF WARM-BLOODED ANIMALS AMERICAN CYANAMID COMPANY (US) 1991-03-20 EP claimed