SCHEMBL9836847

SCHEMBL9836847

CC(N)c1ccc(SC(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.46
SMN1; SMN2 Q16637 9/20 0.45
LMNA P02545 7/20 0.45
ALDH1A1 P00352 6/20 0.45
MAPT P10636 6/20 0.45
PKM P14618 2/20 0.45
PDE2A O00408 1/20 0.42
KMT2A Q03164 7/20 0.36
MEN1 O00255 5/20 0.36
HCRTR1 O43613 1/20 0.36
SLC6A4 P31645 1/20 0.35
HTT P42858 5/20 0.35
ALPL P05186 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
RAB9A P51151 5/20 0.34
NPC1 O15118 4/20 0.34
USP2 O75604 1/20 0.34
ALOX12 P18054 1/20 0.34
POLB P06746 2/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL13831900 0.82 SMN1; SMN2 (0.60) SMN1; SMN2LMNAALDH1A1MAPTPKM
SCHEMBL10408711 0.77 ADRB2 (0.54) ADRB2SMN1; SMN2ALDH1A1MAPTPDE2A
SCHEMBL1314596 0.75 ADRB2 (0.72) ADRB2LMNAALDH1A1MAPTPDE2A
SCHEMBL7330731 0.75 SLC6A4 (0.59) ADRB2PDE2ASLC6A4
SCHEMBL9986170 0.74 ADRB2 (0.56) ADRB2LMNAMAPTPDE2AKMT2A
SCHEMBL20811568 0.74 ADRB2 (0.56) ADRB2LMNAMAPTPDE2AKMT2A
SCHEMBL22206215 0.74 ADRB2 (0.56) ADRB2LMNAMAPTPDE2AKMT2A
SCHEMBL14478244 0.74 SLC6A4 (0.63) SLC6A4
SCHEMBL11444427 0.73 SMN1; SMN2 (0.40) SMN1; SMN2LMNAALDH1A1MAPTPKM
Hydrochloric Acid SCHEMBL31502318 0.73 SLC6A4 (0.57) ADRB2PDE2ASLC6A4

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-0424125-A2 Aralkylamine derivatives, preparation method thereof and fungicides containing the same UBE INDUSTRIES, LTD. (JP) 1991-04-24 EP disclosed