SCHEMBL12959643

SCHEMBL12959643

Cc1cc2nc(C(N)=O)c(=N)n(CC(=O)N3CCC(C(=O)OC(C)(C)C)CC3)c2cc1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ TSHR P16473 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ RXFP1 Q9HBX9 4/20 0.37
▸ HRH3 Q9Y5N1 1/20 0.34
▸ TP53 P04637 2/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ THRB P10828 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ F10 P00742 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ CASP1 P29466 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ MAPT P10636 1/20 0.32
▸ POLB P06746 1/20 0.32

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
SCHEMBL12959641 0.86 SMN1; SMN2 (0.35) ALDH1A1KMT2ATSHRMEN1RXFP1
SCHEMBL1050530 0.77 MEN1 (0.55) ALDH1A1KMT2ATSHRMEN1RXFP1
SCHEMBL12959301 0.66 MEN1 (0.59) ALDH1A1KMT2AMEN1RXFP1MAPK1
SCHEMBL23183608 0.65 HRH3 (0.42) ALDH1A1KMT2ATSHRMEN1RXFP1
SCHEMBL12960044 0.65 CYP1A2 (0.41) ALDH1A1KMT2ATSHRMEN1RXFP1
SCHEMBL16900149 0.64 HRH3 (0.48) ALDH1A1KMT2ATSHRMEN1HRH3
SCHEMBL30734430 0.63 HRH3 (0.59) ALDH1A1KMT2ATSHRMEN1HRH3
SCHEMBL1051041 0.63 MEN1 (0.55) ALDH1A1KMT2AMEN1RXFP1MAPK1
SCHEMBL18894204 0.62 HRH3 (0.55) ALDH1A1KMT2ATSHRMEN1HRH3
SCHEMBL13965734 0.62 HRH3 (0.55) ALDH1A1KMT2ATSHRMEN1HRH3

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
WO-2011008247-A1 FLAVIN DERIVATIVES BIORELIX, INC. (US) 2011-01-20 — — WO disclosed
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