SCHEMBL8623978

SCHEMBL8623978

[CH]Cc1ccccc1-c1nccs1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.48
ADRA1A P35348 3/20 0.43
ADRA1D P25100 2/20 0.43
ADRA1B P35368 1/20 0.43
RAB9A P51151 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.40
CYP2A6 P11509 1/20 0.40
CASP6 P55212 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
ADRA2A P08913 1/20 0.39
ADRB2 P07550 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.36
HSP90AA1 P07900 1/20 0.35
METAP1 P53582 1/20 0.35
CARM1 Q86X55 2/20 0.34
PRMT1 Q99873 2/20 0.34
ALDH1A1 P00352 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PORCN Q9H237 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
SCHEMBL14896009 0.82 LOXL2 (0.51) PDPK1ADRA1AADRA1DADRA1BRAB9A
SCHEMBL8624878 0.82 PDPK1 (0.48) PDPK1ADRA1AADRA1DADRA1BRAB9A
SCHEMBL9672077 0.82 PDPK1 (0.48) PDPK1ADRA1AADRA1DADRA1BRAB9A
SCHEMBL14894225 0.82 PDPK1 (0.48) PDPK1ADRA1AADRA1DADRA1BRAB9A
SCHEMBL5462028 0.82 PDPK1 (0.48) PDPK1ADRA1AADRA1DADRA1BRAB9A
SCHEMBL5692672 0.80 PDPK1 (0.64) PDPK1ADRA1AADRA1DADRA1BRAB9A
SCHEMBL9422310 0.79 PDPK1 (0.46) PDPK1ADRA1AADRA1DADRA1BRAB9A
SCHEMBL8053024 0.79 PDPK1 (0.46) PDPK1ADRA1AADRA1DADRA1BRAB9A
SCHEMBL28177854 0.79 PDPK1 (0.55) PDPK1ADRA1AADRA1DADRA1BRAB9A
SCHEMBL11398268 0.79 PDPK1 (0.46) PDPK1ADRA1AADRA1DADRA1BRAB9A

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-0846107-A1 STEREOSELECTIVE METHOD FOR SYNTHESIZING DOLAPHENINE Pharmeco Laboratories, Inc. (US) 1998-06-10 EP claimed