SCHEMBL9775692

SCHEMBL9775692

CC(C)Oc1cc(Nc2ccccc2)c(F)cc1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 5/20 0.41
PLAUR Q03405 1/20 0.38
LMNA P02545 4/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
HDAC1 Q13547 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
MAPT P10636 2/20 0.35
ALOX15 P16050 2/20 0.35
P2RX3 P56373 1/20 0.35
ALOX12 P18054 2/20 0.34
ALDH1A1 P00352 2/20 0.34
GAA P10253 1/20 0.34
TP53 P04637 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL9775688 0.83 MEN1 (0.43) DHODHLMNAMAPTALOX15P2RX3
SCHEMBL8551603 0.77 DHODH (0.35) DHODHLMNANPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL4681919 0.76 DHODH (0.34) DHODHLMNANPC1RAB9ASMN1; SMN2
SCHEMBL11211663 0.75 DHODH (0.46) DHODHLMNANPC1RAB9ASMN1; SMN2
SCHEMBL9834543 0.71 DHODH (0.43) DHODHLMNANPC1RAB9ASMN1; SMN2
SCHEMBL9775690 0.69 ALOX5AP (0.43) ALDH1A1L3MBTL1
SCHEMBL4679808 0.68 HTR2A (0.37) MAPTL3MBTL1
SCHEMBL28855283 0.68 HTR2A (0.46) MAPTL3MBTL1
SCHEMBL20562337 0.68 IRAK4 (0.53) HDAC1HDAC8HDAC6MAPTALDH1A1
SCHEMBL9775694 0.67 NPC1 (0.62) DHODHLMNANPC1RAB9ASMN1; SMN2

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