SCHEMBL29952953

SCHEMBL29952953

CCOC(=O)c1ccc(B(O)O)c([N+](=O)[O-])c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.62
ALDH1A1 P00352 4/20 0.61
MAPT P10636 3/20 0.61
RAB9A P51151 3/20 0.61
NPC1 O15118 3/20 0.61
PKM P14618 2/20 0.61
CRHBP P24387 1/20 0.61
CRHR2 Q13324 1/20 0.61
KDM4E B2RXH2 2/20 0.60
LMNA P02545 1/20 0.60
POLB P06746 1/20 0.60
PTGER4 P35408 1/20 0.57
MEN1 O00255 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
GAA P10253 1/20 0.50
THRB P10828 1/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA7 P43166 1/20 0.49

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
SCHEMBL4004897 1.00 KMT2A (0.62) KMT2AALDH1A1MAPTRAB9ANPC1
SCHEMBL27199967 0.89 KMT2A (0.59) KMT2AALDH1A1MAPTRAB9ANPC1
SCHEMBL13011536 0.84 VCAM1 (0.61) KMT2AALDH1A1MAPTPKMLMNA
SCHEMBL1981486 0.84 KMT2A (0.67) KMT2AALDH1A1MAPTRAB9ANPC1
SCHEMBL29953088 0.83 MAPT (0.54) KMT2AALDH1A1MAPTRAB9ANPC1
SCHEMBL6422578 0.82 KMT2A (0.65) KMT2AALDH1A1MAPTRAB9ANPC1
SCHEMBL2965278 0.82 KMT2A (0.65) KMT2AALDH1A1MAPTRAB9ANPC1
SCHEMBL3598047 0.82 KMT2A (0.61) KMT2AALDH1A1MAPTRAB9ANPC1
SCHEMBL260606 0.81 KMT2A (0.64) KMT2AALDH1A1MAPTRAB9ANPC1
SCHEMBL1305326 0.81 KMT2A (0.64) KMT2AALDH1A1MAPTRAB9ANPC1

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-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed