SCHEMBL30116414

SCHEMBL30116414

OCc1nc2c(Cl)c(-c3ccccc3OC(F)(F)F)c(Cl)cc2[nH]1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ RHEB Q15382 7/20 0.53
▸ MAP2 P11137 1/20 0.42
▸ SCN9A Q15858 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ RORC P51449 7/20 0.39
▸ TRPA1 O75762 1/20 0.38
▸ GRIA1 P42261 1/20 0.38
▸ CACNG8 Q8WXS5 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
SCHEMBL28517848 1.00 RHEB (0.53) RHEBMAP2SCN9APOLBNPSR1
SCHEMBL25719933 0.86 RORC (0.43) RHEBPOLBNPSR1RORC
SCHEMBL28508959 0.85 RHEB (0.44) RHEBMAP2RORC
SCHEMBL30116523 0.83 TRPA1 (0.44) RHEBTRPA1
SCHEMBL28508944 0.83 TRPA1 (0.44) RHEBTRPA1
SCHEMBL28511997 0.82 RHEB (0.48) RHEB
SCHEMBL30116444 0.82 RHEB (0.48) RHEB
SCHEMBL25719185 0.82 RORC (0.40) RHEBRORC
SCHEMBL28517406 0.82 RHEB (0.46) RHEB
SCHEMBL30116420 0.82 RHEB (0.46) RHEB

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-112135611-B Benzimidazole derivatives as modulators of retinoic acid-related orphan receptor gamma (ROR γ) and pharmaceutical uses thereof 江苏恒瑞医药股份有限公司 2023-01-31 — — CN disclosed
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