SCHEMBL30879601

SCHEMBL30879601

O=C(O)c1ccccc1CNCc1ccccc1C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.57
FOLH1 Q04609 1/20 0.57
ALDH1A1 P00352 3/20 0.54
ALOX15 P16050 1/20 0.54
TSHR P16473 2/20 0.52
HTT P42858 2/20 0.50
CYP2D6 P10635 1/20 0.50
KMT2A Q03164 2/20 0.48
APEX1 P27695 1/20 0.48
CLCN2 P51788 1/20 0.47
HPGD P15428 3/20 0.46
KDM4E B2RXH2 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
HMGB1 P09429 1/20 0.46
CA4 P22748 1/20 0.46
CA6 P23280 1/20 0.46
CA7 P43166 1/20 0.46

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
SCHEMBL16701894 0.92 PKM (0.58) HIF1AFOLH1ALDH1A1ALOX15TSHR
SCHEMBL13320279 0.88 HIF1A (0.51) HIF1AFOLH1ALDH1A1ALOX15TSHR
SCHEMBL7301923 0.88 HIF1A (0.51) HIF1AFOLH1ALDH1A1ALOX15TSHR
SCHEMBL31126963 0.85 HIF1A (0.53) HIF1AFOLH1ALDH1A1ALOX15TSHR
SCHEMBL27804885 0.85 KDM4E (0.65) ALDH1A1TSHRKMT2AAPEX1KDM4E
SCHEMBL27648140 0.85 ALDH1A1 (0.49) HIF1AALDH1A1HTTKMT2AAPEX1
SCHEMBL31126859 0.84 HIF1A (0.48) HIF1AFOLH1ALDH1A1ALOX15TSHR
SCHEMBL22634084 0.83 HIF1A (0.54) HIF1AFOLH1ALDH1A1ALOX15TSHR
SCHEMBL3130427 0.83 HIF1A (0.54) HIF1AFOLH1ALDH1A1ALOX15TSHR
SCHEMBL31126926 0.82 CA12 (0.52) HIF1AFOLH1TSHRHTTCLCN2

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-117843512-A Synthesis method of tranexamic acid impurity 常州寅盛药业有限公司 2024-04-09 CN disclosed