SCHEMBL9302711

SCHEMBL9302711

CCCN1C(=O)c2cccc3c(CCN)ccc(c23)C1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 6/20 0.56
▸ KMT2A Q03164 6/20 0.56
▸ MAPK1 P28482 2/20 0.56
▸ L3MBTL1 Q9Y468 2/20 0.56
▸ RAB9A P51151 2/20 0.56
▸ CYP1B1 Q16678 5/20 0.51
▸ USP2 O75604 3/20 0.51
▸ ATM Q13315 3/20 0.51
▸ KEAP1 Q14145 3/20 0.51
▸ NFE2L2 Q16236 3/20 0.51
▸ MAPT P10636 4/20 0.49
▸ POLB P06746 3/20 0.49
▸ TLR9 Q9NR96 2/20 0.49
▸ NPSR1 Q6W5P4 2/20 0.49
▸ RGS12 O14924 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ HEXA P06865 3/20 0.49
▸ HEXB P07686 3/20 0.49
▸ ALDH1A1 P00352 4/20 0.48

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
SCHEMBL3395756 0.92 MEN1 (0.54) MEN1KMT2AMAPK1L3MBTL1RAB9A
SCHEMBL9301826 0.92 MEN1 (0.59) MEN1KMT2AMAPK1L3MBTL1RAB9A
SCHEMBL3392644 0.89 CYP1B1 (0.65) MEN1KMT2AMAPK1L3MBTL1RAB9A
SCHEMBL3392594 0.85 MEN1 (0.57) MEN1KMT2AMAPK1L3MBTL1RAB9A
SCHEMBL9301467 0.83 HEXA (0.55) MEN1KMT2AMAPK1L3MBTL1RAB9A
SCHEMBL3392586 0.83 HEXA (0.55) MEN1KMT2AMAPK1L3MBTL1RAB9A
SCHEMBL3396652 0.83 HEXA (0.55) MEN1KMT2AMAPK1L3MBTL1RAB9A
SCHEMBL3392641 0.83 HEXA (0.55) MEN1KMT2AMAPK1L3MBTL1RAB9A
SCHEMBL3393290 0.83 HEXA (0.55) MEN1KMT2AMAPK1L3MBTL1RAB9A
SCHEMBL9437193 0.80 KMT2A (0.78) MEN1KMT2AMAPK1L3MBTL1RAB9A

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
US-5279967-A Using fluorophore label NALCO CHEMICAL COMPANY (US) 1994-01-18 — — US disclosed
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