SCHEMBL28181795

SCHEMBL28181795

O=Nc1c(C(=O)O)[nH]c(=O)[nH]c1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.53
THRB P10828 1/20 0.53
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
POLB P06746 2/20 0.37
GPR84 Q9NQS5 3/20 0.36
GLA P06280 1/20 0.36
CDK1 P06493 1/20 0.34
CDK4 P11802 1/20 0.34
CDK2 P24941 1/20 0.34
G6PD P11413 1/20 0.34
DHODH Q02127 4/20 0.34
MAPT P10636 2/20 0.34
LMNA P02545 1/20 0.34
GRIN2D O15399 2/20 0.33
GRIN3B O60391 2/20 0.33
GRIN1 Q05586 2/20 0.33
GRIN2A Q12879 2/20 0.33
GRIN2B Q13224 2/20 0.33
GRIN2C Q14957 2/20 0.33

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
SCHEMBL16543124 0.77 GPR84 (0.39) JAK2THRBGPR84CDK1CDK4
SCHEMBL22783664 0.74 JAK2 (0.61) JAK2THRBDHODHLMNAALDH1A1
SCHEMBL25391975 0.71 JAK2 (0.59) JAK2THRBMEN1KMT2ADHODH
SCHEMBL10962665 0.71 JAK2 (0.59) JAK2THRBDHODHLMNAALDH1A1
SCHEMBL26988788 0.71 JAK2 (0.41) JAK2THRBMEN1KMT2AGLA
SCHEMBL26989603 0.71 JAK2 (0.41) JAK2THRBMEN1KMT2AGLA
SCHEMBL122310 0.70 JAK2 (0.57) JAK2THRBDHODH
SCHEMBL9715507 0.70 JAK2 (1.00) JAK2THRBDHODHLMNAALDH1A1
SCHEMBL44527 0.70 JAK2 (1.00) JAK2THRBDHODHLMNAALDH1A1
SCHEMBL11130450 0.70 JAK2 (0.57) JAK2THRBDHODHLMNAALDH1A1

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-107266374-A A kind of monokaryon zinc super molecular complex and preparation method thereof 宁波大学 2017-10-20 CN disclosed