SCHEMBL31067705

SCHEMBL31067705

O=[N+]([O-])c1cc(C(O)c2cccnc2)ccc1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.50
LMNA P02545 3/20 0.50
HSP90AA1 P07900 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
POLB P06746 2/20 0.48
HPGD P15428 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
CYP17A1 P05093 1/20 0.46
DAPK3 O43293 1/20 0.43
CDK5 Q00535 1/20 0.42
CDK5R1 Q15078 1/20 0.42
VCAM1 P19320 2/20 0.42
HTT P42858 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL17064638 1.00 MAPT (0.50) MAPTLMNAHSP90AA1SMN1; SMN2MEN1
SCHEMBL31067609 0.84 SMN1; SMN2 (0.49) MAPTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL17064740 0.84 SMN1; SMN2 (0.49) MAPTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL31067431 0.83 VCAM1 (0.54) MAPTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL9523568 0.83 VCAM1 (0.54) MAPTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL15647693 0.80 SMN1; SMN2 (0.61) LMNASMN1; SMN2CYP17A1CYP3A4CYP2D6
SCHEMBL9593024 0.78 SMN1; SMN2 (0.54) MAPTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL7116027 0.77 SMN1; SMN2 (0.62) MAPTLMNASMN1; SMN2KMT2ACYP17A1
SCHEMBL10222538 0.77 SMN1; SMN2 (0.43) MAPTLMNAHSP90AA1SMN1; SMN2MEN1
SCHEMBL11711222 0.76 SMN1; SMN2 (0.50) MAPTLMNAHSP90AA1SMN1; SMN2MEN1

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-113307772-B Human plasma kallikrein inhibitors 拜奥克里斯特制药公司 2024-06-28 CN disclosed