SCHEMBL19225705

SCHEMBL19225705

Cc1ccc(OC(F)(F)F)c(Br)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 3/20 0.43
RAB9A P51151 4/20 0.37
NPC1 O15118 3/20 0.37
MAPT P10636 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
S1PR1 P21453 4/20 0.36
MBOAT4 Q96T53 1/20 0.36
PDE2A O00408 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
EPHX2 P34913 1/20 0.33
GRM2 Q14416 1/20 0.33
HSD11B1 P28845 1/20 0.33
CCR1 P32246 1/20 0.32
CCR5 P51681 1/20 0.32
SCN9A Q15858 2/20 0.32
SCN5A Q14524 1/20 0.32

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
SCHEMBL15574512 0.77 PDE2A (0.31) S1PR1PDE2AEPHX2
SCHEMBL3792156 0.75 S1PR4 (0.47) S1PR4RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL18188355 0.74 S1PR4 (0.38) S1PR4RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL23044977 0.73 MBOAT4 (0.36) S1PR1MBOAT4PDE2AEPHX2HSD11B1
SCHEMBL30932108 0.73 MBOAT4 (0.36) S1PR1MBOAT4PDE2AEPHX2HSD11B1
SCHEMBL18149090 0.73 MBOAT4 (0.43) S1PR4RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL30328684 0.73 CCR1 (0.37) RAB9ANPC1SMN1; SMN2S1PR1LMNA
SCHEMBL19851263 0.73 MBOAT4 (0.46) MBOAT4PDE2AGRM2
SCHEMBL20116703 0.71 S1PR4 (0.55) S1PR4RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL24156418 0.71 S1PR4 (0.44) S1PR4RAB9ANPC1MAPTSMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9724351-B2 Compounds for the treatment of paramoxyvirus viral infections ALIOS BIOPHARMA, INC. (US) 2017-08-08 US disclosed