SCHEMBL9775690

SCHEMBL9775690

CC(C)Oc1cc(-c2ccccc2N)c(F)cc1Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 5/20 0.43
FEN1 P39748 5/20 0.43
ALDH1A1 P00352 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TLR8 Q9NR97 1/20 0.36
KCNN4 O15554 1/20 0.36
MAP2 P11137 1/20 0.34
IRAK4 Q9NWZ3 2/20 0.33
BRD4 O60885 1/20 0.33
PKM P14618 1/20 0.32
RAD52 P43351 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
HDAC4 P56524 1/20 0.31
EGFR P00533 1/20 0.31
MCHR1 Q99705 1/20 0.31
PDE3B Q13370 1/20 0.30
PDE3A Q14432 1/20 0.30
TRPA1 O75762 1/20 0.30

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
SCHEMBL9775685 0.83 MAP2 (0.43) ALOX5APFEN1ALDH1A1L3MBTL1TLR8
SCHEMBL4679808 0.78 HTR2A (0.37) ALOX5APFEN1L3MBTL1TLR8HTR2A
SCHEMBL20522392 0.74 ALDH1A1 (0.52) ALOX5APFEN1ALDH1A1L3MBTL1TLR8
SCHEMBL9729924 0.69 HTR2A (0.40) ALDH1A1L3MBTL1TLR8HTR2AHTR2C
SCHEMBL28749538 0.69 ALOX5AP (0.45) ALOX5APFEN1ALDH1A1TLR8KCNN4
SCHEMBL16319622 0.69 NPC1 (0.47) ALOX5APFEN1ALDH1A1L3MBTL1MAP2
SCHEMBL9775692 0.69 DHODH (0.41) ALDH1A1L3MBTL1
SCHEMBL2881264 0.69 ALDH1A1 (0.59) ALOX5APFEN1ALDH1A1L3MBTL1KCNN4
SCHEMBL8551603 0.68 DHODH (0.35) ALDH1A1HTR2AHTR2CHTR2B
SCHEMBL28855283 0.68 HTR2A (0.46) L3MBTL1HTR2AHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5030761-A Herbicides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-07-09 US disclosed
US-4431822-A HERBICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-02-14 US disclosed