SCHEMBL30184773

SCHEMBL30184773

NC(Cc1cnc[nH]1)C(=O)NC(Cc1ccccc1)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ AGTR2 P50052 1/20 0.60
▸ CYP3A4 P08684 1/20 0.59
▸ SLC7A5 Q01650 1/20 0.59
▸ LTA4H P09960 1/20 0.58
▸ REN P00797 1/20 0.57
▸ GHSR Q92847 1/20 0.56
▸ NLN Q9BYT8 1/20 0.55
▸ MME P08473 1/20 0.54
▸ ECE1 P42892 1/20 0.54
▸ ITGB2 P05107 2/20 0.54
▸ ICAM1 P05362 2/20 0.54
▸ ITGAL P20701 2/20 0.54

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
SCHEMBL27826956 1.00 AGTR2 (0.60) AGTR2CYP3A4SLC7A5LTA4HREN
SCHEMBL28133942 0.95 REN (0.60) AGTR2CYP3A4SLC7A5LTA4HREN
SCHEMBL29971719 0.95 REN (0.60) AGTR2CYP3A4SLC7A5LTA4HREN
SCHEMBL21828646 0.91 CYP3A4 (0.56) CYP3A4SLC7A5LTA4HRENNLN
SCHEMBL21828671 0.90 CYP3A4 (0.68) CYP3A4SLC7A5NLNITGB2ICAM1
SCHEMBL29380221 0.88 CYP3A4 (0.65) CYP3A4SLC7A5RENITGB2ICAM1
SCHEMBL13563453 0.86 REN (0.72) RENGHSR
SCHEMBL28042599 0.86 REN (0.61) AGTR2RENGHSRMMEECE1
SCHEMBL21828676 0.86 CYP3A4 (0.53) CYP3A4SLC7A5RENNLNMME
SCHEMBL29971925 0.86 CYP3A4 (0.53) CYP3A4SLC7A5RENNLNMME

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-112007155-B Photothermal immune nanofiber, and preparation method and application thereof 中科南京绿色制造产业创新研究院(CN) 2023-01-13 — — CN claimed
CN-112007155-B Photothermal immune nanofiber, and preparation method and application thereof 中科南京绿色制造产业创新研究院(CN) 2023-01-13 — — CN disclosed
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