SCHEMBL19635158

SCHEMBL19635158

CC[N+](CC)=c1ccc2c(-c3ccccc3C)c3ccc(N4CCC4)cc3oc-2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.42
▸ BLM P54132 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ USP2 O75604 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ PPARG P37231 1/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.42
▸ NCOR2 Q9Y618 1/20 0.42
▸ THRB P10828 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ CHRM1 P11229 1/20 0.37
▸ TGM2 P21980 1/20 0.37
▸ AVPR2 P30518 3/20 0.33
▸ FPR2 P25090 4/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ HPGD P15428 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
SCHEMBL17754037 0.85 MEN1 (0.50) MEN1BLMKMT2AUSP2POLB
SCHEMBL14901855 0.80 MEN1 (0.64) MEN1BLMKMT2AUSP2POLB
SCHEMBL22636637 0.79 TGM2 (0.43) MEN1BLMKMT2AUSP2POLB
SCHEMBL19635146 0.79 ABCB1 (0.33) MEN1BLMKMT2AUSP2POLB
SCHEMBL19962186 0.77 MEN1 (0.49) MEN1BLMKMT2AUSP2POLB
SCHEMBL19962190 0.77 MEN1 (0.49) MEN1BLMKMT2AUSP2POLB
SCHEMBL19962187 0.76 MEN1 (0.56) MEN1BLMKMT2AUSP2POLB
SCHEMBL20288666 0.73 TGM2 (0.39) MEN1BLMKMT2AUSP2POLB
SCHEMBL16081224 0.72 MEN1 (0.57) MEN1BLMKMT2AUSP2POLB
SCHEMBL12763951 0.71 POLB (0.50) MEN1BLMKMT2AUSP2POLB

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-2017201531-A1 PHOTOACTIVE FLUOROPHORES AND METHODS OF IN VIVO LABELING HOWARD HUGHES MEDICAL INSTITUTE (US) 2017-11-23 — — WO disclosed
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