SCHEMBL29060813

SCHEMBL29060813

N#Cc1cc([N+](=O)[O-])ccc1NBr

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 2/20 0.58
RECQL P46063 1/20 0.56
BCL6 P41182 1/20 0.53
BCOR Q6W2J9 1/20 0.53
ALDH1A1 P00352 8/20 0.51
LMNA P02545 5/20 0.51
MAPT P10636 5/20 0.46
GAA P10253 4/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
TDP1 Q9NUW8 2/20 0.45
XDH P47989 1/20 0.44
TSHR P16473 1/20 0.42
TP53 P04637 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL10617330 0.86 BCL6 (0.63) VCAM1RECQLBCL6BCORALDH1A1
SCHEMBL8440501 0.83 RECQL (0.59) VCAM1RECQLBCL6BCORALDH1A1
SCHEMBL29000056 0.83 VCAM1 (0.58) VCAM1RECQLBCL6BCORALDH1A1
SCHEMBL9349737 0.83 VCAM1 (0.58) VCAM1RECQLBCL6BCORALDH1A1
SCHEMBL11291067 0.82 VCAM1 (0.57) VCAM1RECQLBCL6BCORALDH1A1
SCHEMBL6067789 0.78 MAPT (0.62) VCAM1RECQLBCL6BCORALDH1A1
SCHEMBL2336518 0.78 RECQL (0.68) VCAM1RECQLBCL6BCORALDH1A1
SCHEMBL73860 0.78 VCAM1 (0.70) VCAM1RECQLBCL6BCORALDH1A1
SCHEMBL1293605 0.77 VCAM1 (0.64) VCAM1RECQLBCL6BCORALDH1A1
SCHEMBL8446303 0.77 RECQL (0.67) VCAM1RECQLBCL6BCORALDH1A1

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-113620843-B Synthesis method of 2-cyano-4-nitro-6-bromoaniline diazonium salt 浙江迪邦化工有限公司 2023-09-01 CN disclosed