SCHEMBL30403134

SCHEMBL30403134

COc1cc2cc[nH]c2cc1F

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.62
TLR8 Q9NR97 1/20 0.54
TLR7 Q9NYK1 1/20 0.54
MEN1 O00255 1/20 0.50
POLB P06746 1/20 0.50
MAPK1 P28482 1/20 0.50
KMT2A Q03164 1/20 0.50
KDR P35968 1/20 0.47
AHR P35869 4/20 0.46
TUBB4A P04350 1/20 0.43
TUBB P07437 1/20 0.43
TUBA3C P0DPH7 1/20 0.43
TUBA1B P68363 1/20 0.43
TUBA4A P68366 1/20 0.43
TUBB4B P68371 1/20 0.43
TUBB3 Q13509 1/20 0.43
TUBB2A Q13885 1/20 0.43
TUBB8 Q3ZCM7 1/20 0.43
TUBA3E Q6PEY2 1/20 0.43
TUBA1A Q71U36 1/20 0.43

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
SCHEMBL296605 1.00 GPR84 (0.62) GPR84TLR8TLR7MEN1POLB
SCHEMBL17429715 0.93 GPR84 (0.62) GPR84TLR8TLR7MEN1POLB
SCHEMBL30955075 0.93 GPR84 (0.62) GPR84TLR8TLR7MEN1POLB
SCHEMBL1748737 0.84 TLR8 (0.60) GPR84TLR8TLR7MEN1POLB
SCHEMBL3151356 0.81 TLR8 (0.54) GPR84TLR8TLR7MEN1POLB
SCHEMBL31236330 0.81 TLR8 (0.54) GPR84TLR8TLR7MEN1POLB
SCHEMBL18054362 0.81 GPR84 (0.56) GPR84TLR8TLR7MEN1POLB
SCHEMBL17175859 0.81 GPR84 (0.56) GPR84TLR8TLR7MEN1POLB
SCHEMBL187054 0.79 TLR8 (0.55) GPR84TLR8TLR7MEN1POLB
SCHEMBL19431773 0.79 GPR84 (0.58) GPR84TLR8TLR7MEN1POLB

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-4165049-A1 ISOTRYPTAMINE PSYCHOPLASTOGENS AND USES THEREOF Delix Therapeutics, Inc. (US) 2023-04-19 EP disclosed