SCHEMBL28710185

SCHEMBL28710185

CCN(c1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])C1CN(C)CCO1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
MAPT P10636 7/20 0.41
ALDH1A1 P00352 2/20 0.41
GAA P10253 5/20 0.41
TDP1 Q9NUW8 2/20 0.39
RAB9A P51151 2/20 0.39
GALR3 O60755 1/20 0.39
NR2F2 P24468 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
PKM P14618 2/20 0.39
POLB P06746 2/20 0.39
VCAM1 P19320 2/20 0.38
HTT P42858 2/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37

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
SCHEMBL1700351 0.86 KMT2A (0.43) KMT2AMAPTALDH1A1GAARAB9A
SCHEMBL27851581 0.80 TDP1 (0.40) KMT2AMAPTALDH1A1GAATDP1
SCHEMBL1700028 0.76 KMT2A (0.44) KMT2AMAPTALDH1A1GAATDP1
SCHEMBL1700355 0.76 KMT2A (0.40) KMT2AMAPTALDH1A1GAATDP1
SCHEMBL1700637 0.75 KMT2A (0.39) KMT2AMAPTALDH1A1GAARAB9A
SCHEMBL27849862 0.74 KMT2A (0.40) KMT2AMAPTALDH1A1GAATDP1
SCHEMBL1700350 0.73 KMT2A (0.58) KMT2AMAPTALDH1A1GAATDP1
SCHEMBL1701035 0.73 MAPT (0.41) KMT2AMAPTALDH1A1GAATDP1
SCHEMBL22581236 0.73 KMT2A (0.58) KMT2AMAPTALDH1A1GAATDP1
SCHEMBL22581386 0.73 KMT2A (0.58) KMT2AMAPTALDH1A1GAATDP1

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
CN-114126616-A Nanoparticle formulations of BCL-2 inhibitors 里科瑞尔姆IP控股有限责任公司 2022-03-01 CN disclosed