SCHEMBL27645846

SCHEMBL27645846

N=C(N)c1cccc(Br)c1.O=S(=O)(O)CCO

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C1S P09871 1/20 0.65
POLB P06746 3/20 0.51
KDM4E B2RXH2 2/20 0.51
MAPT P10636 2/20 0.51
RAD52 P43351 1/20 0.51
UBE2N P61088 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
ALDH1A1 P00352 2/20 0.50
LMNA P02545 2/20 0.50
RAB9A P51151 2/20 0.50
NPC1 O15118 1/20 0.50
ALOX15 P16050 1/20 0.50
BRCA1 P38398 1/20 0.50
HTT P42858 1/20 0.50
GMNN O75496 1/20 0.50
PKM P14618 1/20 0.50
THPO P40225 1/20 0.50
MTOR P42345 1/20 0.50
RECQL P46063 1/20 0.50

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
Benzamidine SCHEMBL27925636 0.81 POLB (0.61) C1SPOLBKDM4EMAPTRAD52
Benzamidine SCHEMBL5522150 0.81 POLB (0.61) C1SPOLBKDM4EMAPTRAD52
SCHEMBL423581 0.80 C1S (1.00) C1SSMN1; SMN2PKMRECQLBLM
Hydrochloric Acid SCHEMBL3764471 0.79 C1S (0.96) C1SPKMRECQLBLMPARP1
Amicarbalide SCHEMBL5340267 0.78 PLAU (0.50) POLBKDM4EMAPTRAD52UBE2N
Dibrompropamidine SCHEMBL30231952 0.73 F2 (0.72) POLBKDM4EMAPTRAD52UBE2N
Dibrompropamidine SCHEMBL871570 0.73 F2 (0.72) POLBKDM4EMAPTRAD52UBE2N
Dibrompropamidine SCHEMBL2471251 0.73 F2 (0.72) POLBKDM4EMAPTRAD52UBE2N
SCHEMBL985038 0.72 F2 (0.67) POLBKDM4EMAPTRAD52UBE2N
SCHEMBL20528835 0.72 F2 (0.67) POLBKDM4EMAPTRAD52UBE2N

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109054378-B Enhancing antimicrobial activity of biocides with polymers 巴斯夫欧洲公司 2021-10-01 CN disclosed
CN-1918132-A Method of coloring with capped diazotized compound and coupling component CIBA SC HOLDING AG (CH) 2007-02-21 CN disclosed