SCHEMBL11623604

SCHEMBL11623604

Nc1ccc(OS(=O)(=O)c2cccc(Br)c2)cc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR17 Q13304 6/20 0.47
P2RY2 P41231 1/20 0.47
FFAR4 Q5NUL3 1/20 0.44
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
POLB P06746 3/20 0.43
ALDH1A1 P00352 2/20 0.43
PKM P14618 1/20 0.43
MAPT P10636 3/20 0.42
LMNA P02545 1/20 0.42
TDP1 Q9NUW8 3/20 0.41
CYP3A4 P08684 2/20 0.41
ALOX15 P16050 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HPGD P15428 2/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL11448513 0.91 GPR17 (0.50) GPR17P2RY2FFAR4MEN1KMT2A
SCHEMBL10741844 0.87 ALDH1A1 (0.47) GPR17P2RY2FFAR4MEN1KMT2A
SCHEMBL11518080 0.85 FFAR4 (0.56) GPR17FFAR4MEN1KMT2APOLB
SCHEMBL11628222 0.85 TSHR (0.52) GPR17P2RY2FFAR4MEN1KMT2A
SCHEMBL11623279 0.85 SMN1; SMN2 (0.53) GPR17P2RY2FFAR4MEN1KMT2A
SCHEMBL10656287 0.85 GPR17 (0.50) GPR17P2RY2FFAR4MEN1KMT2A
SCHEMBL11458717 0.84 ALDH1A1 (0.50) FFAR4MEN1KMT2APOLBALDH1A1
SCHEMBL11628567 0.84 GPR17 (0.48) GPR17FFAR4MEN1KMT2APOLB
SCHEMBL11840565 0.83 PGR (0.42) GPR17P2RY2MEN1KMT2APOLB
SCHEMBL11851786 0.82 ALPL (0.48) GPR17P2RY2FFAR4MEN1KMT2A

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
US-4069325-A 3-Carbalkoxyamino-1H-2,1,4-benzothiadiazine derivatives HOECHST AKTIENGESELLSCHAFT (DT) 1978-01-17 US disclosed
US-3996368-A Anthelmintically active 2-carbalkoxyamino-5(6)-phenyl sulfonyloxy benzimidazoles HOECHST AKTIENGESELLSCHAFT (DT) 1976-12-07 US disclosed