SCHEMBL24690109

SCHEMBL24690109

Cc1ccc2nn(CCOc3ccc(C(F)(F)F)cc3)cc2c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 4/20 0.43
LTA4H P09960 1/20 0.41
NSD2 O96028 1/20 0.38
NSD3 Q9BZ95 1/20 0.38
ACHE P22303 2/20 0.38
TLR9 Q9NR96 1/20 0.38
DRD2 P14416 4/20 0.38
GRM2 Q14416 1/20 0.37
KCNH2 Q12809 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
S1PR1 P21453 1/20 0.37
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
MAPT P10636 1/20 0.36

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
SCHEMBL24690106 0.79 HSP90AA1 (0.44) MAPT
SCHEMBL13607538 0.76 IRAK4 (0.41) MAPT
SCHEMBL18470552 0.71 ESR2 (0.43) KCNH2MAPT
SCHEMBL17171541 0.71 NOS1 (0.46) NOS1LTA4HNSD2NSD3DRD2
SCHEMBL26442592 0.70 HDAC6 (0.40) MAPT
SCHEMBL17171480 0.69 MAPT (0.47) NOS1MAPT
SCHEMBL24930547 0.68 CYP1A2 (0.41) MAPT
SCHEMBL13607547 0.68 CYP1A2 (0.40) ACHEKCNH2
SCHEMBL24930179 0.67 CYP1A2 (0.37) MAPT
SCHEMBL13607537 0.67 IRAK4 (0.39) NSD2MAPT

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
WO-2022224212-A1 GPR35 AGONIST COMPOUNDS HEPTARES THERAPEUTICS LIMITED (GB) 2022-10-27 WO disclosed