SCHEMBL11273668

SCHEMBL11273668

CCN1C(=O)N(c2cccc(Br)c2)C(=O)/C1=C/N(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 1/20 0.42
▸ KMT2A Q03164 7/20 0.39
▸ ALDH1A1 P00352 6/20 0.39
▸ MEN1 O00255 6/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ CDC25B P30305 1/20 0.37
▸ GSK3A P49840 1/20 0.36
▸ GSK3B P49841 1/20 0.36
▸ ATM Q13315 2/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ CYP1B1 Q16678 2/20 0.35
▸ CRHBP P24387 1/20 0.35
▸ CRHR2 Q13324 1/20 0.35
▸ TDP1 Q9NUW8 2/20 0.34
▸ ALOX5 P09917 1/20 0.34
▸ MAPT P10636 4/20 0.34
▸ LMNA P02545 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ MAPK1 P28482 1/20 0.34

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
SCHEMBL11273670 1.00 MGLL (0.42) MGLLKMT2AALDH1A1MEN1HSD17B10
SCHEMBL11284907 0.82 AMY1A (0.45) KMT2AALDH1A1MEN1MAPT
SCHEMBL11284904 0.82 AMY1A (0.45) KMT2AALDH1A1MEN1MAPT
SCHEMBL19707567 0.71 MGLL (0.66) MGLLKMT2AALDH1A1MEN1GSK3A
SCHEMBL11288293 0.70 ALDH1A1 (0.50) MGLLKMT2AALDH1A1MEN1HSD17B10
SCHEMBL11288281 0.70 ALDH1A1 (0.50) MGLLKMT2AALDH1A1MEN1HSD17B10
SCHEMBL11269792 0.69 NOX4 (0.51) MGLLKMT2AALDH1A1MEN1MAPT
SCHEMBL11275245 0.69 HSP90AA1 (0.46) MGLLKMT2AALDH1A1MEN1HSD17B10
SCHEMBL11269789 0.69 NOX4 (0.51) MGLLKMT2AALDH1A1MEN1MAPT
SCHEMBL11275254 0.69 HSP90AA1 (0.46) MGLLKMT2AALDH1A1MEN1HSD17B10

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
US-4345935-A PREEMERGENT AND POSTEMERGENT APPLICATION ELI LILLY AND COMPANY (US) 1982-08-24 — — US disclosed
US-4345936-A Imidazoles, compositions and herbicidal method ELI LILLY AND COMPANY (US) 1982-08-24 — — US disclosed
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