SCHEMBL31038239

SCHEMBL31038239

CN(C)C=NC(=O)c1ccc(-n2ccc3cc(C(=O)N4CCC(F)(F)CC4)cnc32)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 8/20 0.49
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MGLL Q99685 1/20 0.43
LRRK2 Q5S007 1/20 0.36
VNN1 O95497 1/20 0.36
ADRA1A P35348 2/20 0.35
DDR1 Q08345 3/20 0.33
GABRA5 P31644 1/20 0.33
USP1 O94782 1/20 0.32
HTR1A P08908 1/20 0.32

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
SCHEMBL30201327 1.00 HPGD (0.49) HPGDMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL24942619 0.91 HPGD (0.46) HPGDMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL31038245 0.91 HPGD (0.46) HPGDMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL29257192 0.91 HPGD (0.46) HPGDMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL23680616 0.83 HPGD (0.61) HPGDMEN1ALDH1A1KMT2AMGLL
SCHEMBL24463716 0.83 HPGD (0.56) HPGDMEN1KMT2AMGLLLRRK2
SCHEMBL23675201 0.83 HPGD (0.54) HPGDMGLLLRRK2VNN1ADRA1A
SCHEMBL23680713 0.82 HPGD (0.53) HPGDMGLLLRRK2VNN1ADRA1A
SCHEMBL30947679 0.82 HPGD (0.48) HPGDMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL24929883 0.82 HPGD (0.48) HPGDMEN1ALDH1A1KMT2ASMN1; 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-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