SCHEMBL28517414

SCHEMBL28517414

FC(F)(F)Oc1ccccc1-c1c(Cl)cc2[nH][c]nc2c1Cl

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MAP2 P11137 1/20 0.40
▸ RORC P51449 14/20 0.39
▸ TRPA1 O75762 1/20 0.39
▸ GRIA1 P42261 2/20 0.38
▸ CACNG8 Q8WXS5 2/20 0.38
▸ POLB P06746 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ SCN9A Q15858 1/20 0.36

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
SCHEMBL28518808 0.85 ALOX5AP (0.35) RORCTRPA1SCN9A
SCHEMBL23451923 0.84 MAP2 (0.38) MAP2NPSR1
SCHEMBL28517220 0.83 RORC (0.36) MAP2RORCTRPA1
SCHEMBL28522522 0.81 TRPA1 (0.44) TRPA1CYP2C9
SCHEMBL28505135 0.81 MAP2 (0.41) MAP2RORCTRPA1NPSR1CYP2C9
SCHEMBL28517230 0.81 PDE5A (0.37) —
SCHEMBL28510942 0.80 DHODH (0.34) TRPA1CYP2C9
SCHEMBL28511196 0.80 TRPA1 (0.39) MAP2RORCTRPA1POLBNPSR1
SCHEMBL30026262 0.80 SCN9A (0.41) MAP2RORCTRPA1GRIA1CACNG8
SCHEMBL28514043 0.78 FFAR2 (0.35) POLBNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116514722-A Benzimidazole derivatives as modulators of retinoic acid related orphan receptor gamma (ROR gamma) and pharmaceutical uses thereof 江苏恒瑞医药股份有限公司 2023-08-01 — — CN disclosed
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
CN-112135611-A 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 2020-12-25 — — CN disclosed
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