SCHEMBL29273416

SCHEMBL29273416

Cc1nn2cc(C(=O)O)ccc2c1-c1c(F)cccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 17/20 0.41
▸ SLC22A12 Q96S37 2/20 0.41
▸ TTR P02766 1/20 0.40
▸ RARG P13631 2/20 0.40
▸ CYP3A4 P08684 4/20 0.40
▸ CYP2C9 P11712 4/20 0.39
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38

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
SCHEMBL29273408 0.91 TTR (0.45) RORCSLC22A12TTRRARG
SCHEMBL30933433 0.87 MAPK14 (0.43) RORC
SCHEMBL23355447 0.87 MAPK14 (0.43) RORC
SCHEMBL23355436 0.78 JAK1 (0.39) CYP3A4CYP2C9CYP1A2CYP2C19
SCHEMBL29273417 0.74 NOTUM (0.36) RORCSLC22A12
SCHEMBL29273412 0.69 ALDH1A1 (0.38) SLC22A12
SCHEMBL9907631 0.69 HTR5A (0.51) RORCSLC22A12TTR
SCHEMBL23355481 0.69 PIK3C2B (0.42) RORCCYP3A4CYP1A2CYP2C19
SCHEMBL30933431 0.69 PIK3C2B (0.42) RORCCYP3A4CYP1A2CYP2C19
SCHEMBL952060 0.69 SCN3A (0.39) RORC

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
CN-112996788-B Anthelmintic heterocyclic compounds 勃林格殷格翰动物保健美国公司 2024-07-16 — — CN disclosed
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