SCHEMBL31055865

SCHEMBL31055865

CNc1cc(C(=O)OC)cc(Br)c1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.40
HCAR3 P49019 1/20 0.39
NOTUM Q6P988 1/20 0.39
VCAM1 P19320 1/20 0.39
KDM4E B2RXH2 2/20 0.39
MAPT P10636 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
POLB P06746 3/20 0.38
ALDH1A1 P00352 2/20 0.38
PKM P14618 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
GAA P10253 2/20 0.38
HTT P42858 1/20 0.38
LMNA P02545 2/20 0.38

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
SCHEMBL31160116 0.82 ALDH1A1 (0.43) SMN1; SMN2HCAR3VCAM1KDM4EMAPT
SCHEMBL27255556 0.82 ALDH1A1 (0.43) SMN1; SMN2HCAR3VCAM1KDM4EMAPT
SCHEMBL31123060 0.81 NOTUM (0.43) SMN1; SMN2NOTUMVCAM1KDM4EMAPT
SCHEMBL3646690 0.81 NOTUM (0.43) SMN1; SMN2NOTUMVCAM1KDM4EMAPT
SCHEMBL22085608 0.79 LMNA (0.54) SMN1; SMN2KDM4EMAPTPOLBALDH1A1
SCHEMBL31651636 0.78 HPGD (0.41) SMN1; SMN2NOTUMVCAM1KDM4EMAPT
SCHEMBL31159767 0.78 SMN1; SMN2 (0.40) SMN1; SMN2HCAR3NOTUMVCAM1KDM4E
SCHEMBL31160079 0.77 MAPT (0.41) SMN1; SMN2HCAR3VCAM1KDM4EMAPT
SCHEMBL1966920 0.77 KDM4E (0.50) SMN1; SMN2HCAR3VCAM1KDM4EMAPT
SCHEMBL29832958 0.77 KDM4E (0.50) SMN1; SMN2HCAR3VCAM1KDM4EMAPT

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
WO-2024178390-A1 COVALENT MODIFIERS OF AKT1 AND USES THEREOF TERREMOTO BIOSCIENCES, INC. (US) 2024-08-29 WO disclosed