SCHEMBL30724596

SCHEMBL30724596

COC(=O)c1nnc(Cl)cc1NCc1ccc(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.47
MAPT P10636 6/20 0.47
ALDH1A1 P00352 3/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
NPSR1 Q6W5P4 1/20 0.47
LMNA P02545 1/20 0.43
DRD2 P14416 1/20 0.42
TBXA2R P21731 1/20 0.42
VNN1 O95497 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
CD38 P28907 1/20 0.41
CNR1 P21554 1/20 0.41
MAPK1 P28482 1/20 0.41
RECQL P46063 1/20 0.41
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL21617346 1.00 HDAC8 (0.47) HDAC8MAPTALDH1A1MEN1KMT2A
SCHEMBL23015337 0.90 KDM4E (0.48) MAPTALDH1A1MEN1KMT2AVNN1
SCHEMBL26663224 0.86 ALDH1A1 (0.40) HDAC8MAPTALDH1A1MEN1KMT2A
SCHEMBL2133084 0.86 MEN1 (0.47) HDAC8MAPTALDH1A1MEN1KMT2A
SCHEMBL4976162 0.84 PDE5A (0.49) ALDH1A1GAA
SCHEMBL21617360 0.84 SYK (0.49) HDAC8MAPTALDH1A1MEN1KMT2A
SCHEMBL4212317 0.84 HPGD (0.48) HDAC8MAPTKMT2ANPSR1LMNA
SCHEMBL31038753 0.79 HDAC8 (0.47) HDAC8MAPTALDH1A1MEN1KMT2A
SCHEMBL29206801 0.77 HTR6 (0.46) HDAC8MAPTALDH1A1LMNARAB9A
SCHEMBL30904789 0.77 HTR6 (0.46) HDAC8MAPTALDH1A1LMNARAB9A

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-112584898-B P2X 3 Receptor antagonists 瑞蔻达蒂化学和制药工业股份有限公司 2024-01-26 CN disclosed