SCHEMBL31483040

SCHEMBL31483040

NC(=O)NCCNc1ncccn1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.61
P2RX7 Q99572 1/20 0.44
HPGD P15428 2/20 0.41
FDPS P14324 1/20 0.40
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
RECQL P46063 1/20 0.39
KDM4E B2RXH2 1/20 0.38
HSD17B10 Q99714 1/20 0.38
DPP4 P27487 1/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
HDAC1 Q13547 1/20 0.37
POLB P06746 1/20 0.37
MTNR1A P48039 1/20 0.37

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
SCHEMBL25056999 0.81 ALDH1A1 (0.61) ALDH1A1HPGDLMNAHTTHSD17B10
SCHEMBL31483042 0.79 CYP1A2 (0.51) ALDH1A1HPGDFDPSHTTNPC1
SCHEMBL20964586 0.77 ALDH1A1 (0.55) ALDH1A1HPGDLMNAHTTRECQL
SCHEMBL8288041 0.75 KMT2A (0.67) ALDH1A1HPGDLMNAHTTKDM4E
SCHEMBL3641337 0.74 P2RX7 (0.45) ALDH1A1P2RX7HPGDRECQLKDM4E
SCHEMBL867510 0.73 BCHE (0.52) ALDH1A1KDM4EKMT2AMEN1
SCHEMBL17234481 0.72 ALDH1A1 (0.60) ALDH1A1HPGDFDPSLMNAHTT
SCHEMBL6865308 0.71 ALDH1A1 (0.73) ALDH1A1HPGD
SCHEMBL175234 0.71 TDP1 (0.46) ALDH1A1HPGDLMNARECQLKDM4E
SCHEMBL5841015 0.71 EPHX1 (0.51) ALDH1A1HSD17B10HDAC1POLBMTNR1A

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-119841829-A Compounds for the treatment of PI3K gamma mediated diseases and uses thereof 中国科学院合肥物质科学研究院 2025-04-18 CN disclosed