SCHEMBL30104081

SCHEMBL30104081

O=C(O)c1ccc2c(n1)NCC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.41
TDP1 Q9NUW8 2/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
ACMSD Q8TDX5 1/20 0.41
KMT2A Q03164 2/20 0.39
LMNA P02545 2/20 0.39
MEN1 O00255 1/20 0.39
NNMT P40261 1/20 0.38
MGAM O43451 1/20 0.38
ITGB3 P05106 10/20 0.37
ITGAV P06756 10/20 0.37
ITGB5 P18084 4/20 0.35
ITGB6 P18564 4/20 0.35
ITGB8 P26012 4/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
KDM5A P29375 1/20 0.35
JMJD1C Q15652 1/20 0.35
KDM3A Q9Y4C1 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL14610720 0.90 ITGB3 (0.46) KDM4ENNMTITGB3ITGAVITGB5
SCHEMBL19928751 0.86 NNMT (0.49) TSHRKMT2ALMNANNMTITGB3
SCHEMBL5316288 0.76 CRBN (0.41) KDM4ETDP1ALOX15TSHRACMSD
SCHEMBL13995820 0.75 ITGB3 (0.45) ITGB3ITGAVITGB5ITGB6ITGB8
SCHEMBL10209782 0.72 HTR2C (0.44) KDM4ETDP1ALOX15TSHRACMSD
SCHEMBL14610993 0.71 KDM4E (0.37) KDM4ETDP1ALOX15TSHRACMSD
SCHEMBL29827162 0.70 TDP2 (0.44) KDM4ETDP1ALOX15TSHRACMSD
SCHEMBL23093250 0.69 PARP10 (0.38) NNMT
SCHEMBL279310 0.69 UHRF1 (0.43) NNMTRAB9A
SCHEMBL21273854 0.69 F7 (0.38) NNMT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117447455-A Nitrogen-containing heterocyclic compound 首药控股(北京)股份有限公司 2024-01-26 CN disclosed
EP-4061373-A1 METHODS FOR TREATING INFLAMMATORY BOWEL DISEASE Angion Biomedica Corp. (US) 2022-09-28 EP disclosed