SCHEMBL29777571

SCHEMBL29777571

CNC(=O)c1c([N+](=O)[O-])cnn1CCBr

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
HPGD P15428 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
CYP2C9 P11712 2/20 0.44
PKM P14618 2/20 0.44
CYP3A4 P08684 1/20 0.44
POLB P06746 1/20 0.44
KDM4E B2RXH2 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
HTT P42858 1/20 0.43
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL7454078 0.85 TDP1 (0.47) GAAMEN1KMT2AHPGDSMN1; SMN2
SCHEMBL29777619 0.83 GAA (0.46) GAAMEN1KMT2AHPGDSMN1; SMN2
SCHEMBL7456718 0.83 HPGD (0.45) GAAMEN1KMT2AHPGDSMN1; SMN2
SCHEMBL28260851 0.82 SMN1; SMN2 (0.41) GAAMEN1KMT2AHPGDSMN1; SMN2
SCHEMBL8036125 0.80 CYP2C9 (0.64) GAAMEN1KMT2AHPGDCYP2C9
SCHEMBL29777618 0.79 ALDH1A1 (0.49) MEN1KMT2AHPGDSMN1; SMN2ALDH1A1
SCHEMBL7457590 0.79 HPGD (0.46) GAAMEN1KMT2AHPGDSMN1; SMN2
SCHEMBL4096910 0.74 ALDH1A1 (0.46) GAAMEN1KMT2AHPGDSMN1; SMN2
SCHEMBL12800195 0.74 TDP1 (0.46) GAAMEN1KMT2AHPGDSMN1; SMN2
SCHEMBL12725198 0.72 TDP1 (0.44) GAAMEN1KMT2AHPGDSMN1; SMN2

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-108948019-B Focal adhesion kinase inhibitors and uses thereof 广东东阳光药业有限公司 2022-07-08 CN disclosed