SCHEMBL11598688

SCHEMBL11598688

NCc1ccccc1CNCCO

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.51
▸ CA12 O43570 5/20 0.48
▸ CA2 P00918 5/20 0.48
▸ LMNA P02545 2/20 0.46
▸ CA9 Q16790 4/20 0.46
▸ TSHR P16473 2/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ MPO P05164 3/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ CYP2D6 P10635 1/20 0.42
▸ HIF1A Q16665 1/20 0.42
▸ SLC6A4 P31645 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ DPP4 P27487 1/20 0.41
▸ CHRM2 P08172 2/20 0.40
▸ USP28 Q96RU2 1/20 0.40
▸ USP25 Q9UHP3 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ HTT P42858 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
SCHEMBL20962611 0.89 ALDH1A1 (0.59) ALDH1A1CA12CA2LMNACA9
SCHEMBL28461362 0.89 CA12 (0.52) ALDH1A1CA12CA2CA9TSHR
SCHEMBL30192689 0.83 CA12 (0.48) CA12CA2CA9TSHRKDM4E
SCHEMBL15443074 0.80 ALDH1A1 (0.60) ALDH1A1CA12CA2LMNACA9
SCHEMBL5191623 0.80 MC1R (0.54) CA12CA2CA9TSHRKDM4E
SCHEMBL21799745 0.80 SLC6A4 (0.47) ALDH1A1CA12CA2CA9TSHR
SCHEMBL31078248 0.78 MEN1 (0.65) CA12CA2CA9MPOCHRM2
SCHEMBL9097242 0.78 CHRM2 (0.66) ALDH1A1CA12CA2LMNAKDM4E
SCHEMBL1436928 0.78 CA12 (0.80) CA12CA2CA9TSHRKDM4E
SCHEMBL29566183 0.78 CA12 (0.80) CA12CA2CA9TSHRKDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117440891-A Seamless lithographic printing plate precursor, seamless lithographic printing plate, cylindrical support regeneration method, method for producing seamless lithographic printing plate precursor, and composition for forming easily releasable primer layer 东丽株式会社 2024-01-23 — — CN disclosed
US-4077920-A Flame- and smoke-resistant polyurethane foam and a method for producing said foam BRIDGESTONE TIRE COMPANY LIMITED (JA) 1978-03-07 — — US disclosed
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