SCHEMBL9463178

SCHEMBL9463178

NN(Cc1ccccc1)c1cccc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
HTR1D P28221 1/20 0.42
HTR1B P28222 1/20 0.42
SIGMAR1 Q99720 6/20 0.42
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 1/20 0.41
KMT2A Q03164 1/20 0.41
CFTR P13569 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39

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
SCHEMBL6541752 0.81 L3MBTL1 (0.45) L3MBTL1HTR1DHTR1BSIGMAR1KMT2A
SCHEMBL2865598 0.78 SIGMAR1 (0.50) AOC3L3MBTL1HTR1DHTR1BSIGMAR1
SCHEMBL30966945 0.78 SIGMAR1 (0.50) AOC3L3MBTL1HTR1DHTR1BSIGMAR1
SCHEMBL4253392 0.77 SIGMAR1 (0.51) L3MBTL1SIGMAR1KMT2ACYP1A2CYP2D6
SCHEMBL284744 0.76 SIGMAR1 (0.44) L3MBTL1HTR1DHTR1BSIGMAR1KMT2A
SCHEMBL1593235 0.76 SIGMAR1 (0.43) HTR1BSIGMAR1KMT2ACYP1A2CYP2D6
SCHEMBL2343211 0.75 TSHR (0.59) L3MBTL1HTR1DHTR1BSIGMAR1KMT2A
SCHEMBL9547586 0.75 L3MBTL1 (0.48) L3MBTL1SIGMAR1CFTRGRIN2DGRIN3B
SCHEMBL4801307 0.75 AOC3 (0.48) AOC3CYP2C19
SCHEMBL9702215 0.74 L3MBTL1 (0.40) L3MBTL1HTR1DHTR1BSIGMAR1KMT2A

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-5269816-A Water-soluble reactive triazine dye IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-12-14 US disclosed