SCHEMBL30947679

SCHEMBL30947679

CN(C)C=NC(=O)c1ccc(-n2nnc3cc(C(=O)N4CCC(F)(F)CC4)cnc32)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 9/20 0.48
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RXRA P19793 1/20 0.35
VNN1 O95497 1/20 0.35
LRRK2 Q5S007 1/20 0.34
CCNT1 O60563 3/20 0.33
CDK9 P50750 3/20 0.33
HTR1A P08908 1/20 0.33
GABRA5 P31644 1/20 0.33
ADRA1A P35348 1/20 0.33
ADORA2A P29274 1/20 0.33
RPLP1 P05386 1/20 0.32
RPLP0 P05388 1/20 0.32
RPS17 P08708 1/20 0.32
RPSA P08865 1/20 0.32
RPS2 P15880 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
SCHEMBL24929883 1.00 HPGD (0.48) HPGDSMN1; SMN2MEN1ALDH1A1KMT2A
SCHEMBL30361438 0.87 HPGD (0.46) HPGDSMN1; SMN2MEN1ALDH1A1KMT2A
SCHEMBL30947687 0.87 HPGD (0.46) HPGDSMN1; SMN2MEN1ALDH1A1KMT2A
SCHEMBL29259564 0.87 HPGD (0.46) HPGDSMN1; SMN2MEN1ALDH1A1KMT2A
SCHEMBL29259578 0.87 HPGD (0.46) HPGDSMN1; SMN2MEN1ALDH1A1KMT2A
SCHEMBL24463691 0.83 HPGD (0.53) HPGDSMN1; SMN2ALDH1A1RXRAVNN1
SCHEMBL30361471 0.82 HPGD (0.52) HPGDSMN1; SMN2MEN1KMT2ARXRA
SCHEMBL24929596 0.82 HPGD (0.57) HPGDALDH1A1RXRAVNN1LRRK2
SCHEMBL31038239 0.82 HPGD (0.49) HPGDSMN1; SMN2MEN1ALDH1A1KMT2A
SCHEMBL30201327 0.82 HPGD (0.49) HPGDSMN1; SMN2MEN1ALDH1A1KMT2A

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-118201926-A Bicyclic PGDH inhibitors and methods of making and using the same 埃皮里姆生物股份有限公司 2024-06-14 CN disclosed