SCHEMBL31038245

SCHEMBL31038245

CN(C)C=NC(=O)c1ncc(-n2ccc3cc(C(=O)N4CCC(F)(F)CC4)cnc32)cn1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 8/20 0.46
MGLL Q99685 1/20 0.39
VNN1 O95497 1/20 0.36
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
DDR1 Q08345 4/20 0.33
ADRA1A P35348 2/20 0.33
LRRK2 Q5S007 1/20 0.33
GABRA5 P31644 1/20 0.31
GRM5 P41594 1/20 0.31

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
SCHEMBL29257192 1.00 HPGD (0.46) HPGDMGLLVNN1MEN1ALDH1A1
SCHEMBL24942619 1.00 HPGD (0.46) HPGDMGLLVNN1MEN1ALDH1A1
SCHEMBL30201327 0.91 HPGD (0.49) HPGDMGLLVNN1MEN1ALDH1A1
SCHEMBL31038239 0.91 HPGD (0.49) HPGDMGLLVNN1MEN1ALDH1A1
SCHEMBL24942621 0.83 HPGD (0.52) HPGDMGLLVNN1DDR1ADRA1A
SCHEMBL24463672 0.80 HPGD (0.52) HPGDMGLLVNN1DDR1ADRA1A
SCHEMBL24463716 0.79 HPGD (0.56) HPGDMGLLVNN1MEN1KMT2A
SCHEMBL24942620 0.79 HPGD (0.51) HPGDMGLLVNN1DDR1ADRA1A
SCHEMBL30201439 0.78 HPGD (0.50) HPGDMGLLVNN1DDR1ADRA1A
SCHEMBL24463670 0.78 HPGD (0.52) HPGDMGLLVNN1DDR1ADRA1A

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-118338902-A Pyrrolo [2,3-b ] pyridine PGDH inhibitors and methods of making and using the same 埃皮里姆生物股份有限公司 2024-07-12 CN disclosed