SCHEMBL28584451

SCHEMBL28584451

O=C(O)c1ccncc1NC(=O)c1cn(Cc2ccccn2)c2ccccc12

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 1/20 0.81
KDM4E B2RXH2 3/20 0.53
KDM4C Q9H3R0 9/20 0.50
KDM4D Q6B0I6 5/20 0.50
KDM6B O15054 5/20 0.45
KDM5A P29375 2/20 0.44
EGLN3 Q9H6Z9 1/20 0.43
CNR2 P34972 4/20 0.42
CNR1 P21554 3/20 0.42
KDM4A O75164 1/20 0.41
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
TUBA3C P0DPH7 1/20 0.41
TUBA1B P68363 1/20 0.41
TUBA4A P68366 1/20 0.41
TUBB4B P68371 1/20 0.41
TUBB3 Q13509 1/20 0.41
TUBB2A Q13885 1/20 0.41
TUBB8 Q3ZCM7 1/20 0.41
TUBA3E Q6PEY2 1/20 0.41

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
SCHEMBL28589808 0.90 SLC22A12 (1.00) SLC22A12KDM4ECNR2CNR1LMNA
SCHEMBL28589203 0.89 SLC22A12 (0.65) SLC22A12KDM4ECNR2CNR1LMNA
SCHEMBL28577788 0.85 SLC22A12 (0.79) SLC22A12KDM4EKDM4CKDM4DCNR2
SCHEMBL29929026 0.85 SLC22A12 (0.79) SLC22A12KDM4EKDM4CKDM4DCNR2
SCHEMBL28914750 0.84 SLC22A12 (0.78) SLC22A12KDM4ECNR2CNR1LMNA
SCHEMBL28583458 0.84 SLC22A12 (0.78) SLC22A12KDM4ECNR2CNR1LMNA
SCHEMBL28573465 0.83 SLC22A12 (0.76) SLC22A12KDM4ECNR2CNR1LMNA
SCHEMBL28265757 0.82 SLC22A12 (0.74) SLC22A12KDM4ECNR2CNR1LMNA
SCHEMBL28914786 0.82 SLC22A12 (0.78) SLC22A12KDM4ECNR2CNR1LMNA
SCHEMBL30089337 0.82 SLC22A12 (0.78) SLC22A12KDM4ECNR2CNR1LMNA

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-113004188-B Indole derivative, preparation method and application 沈阳药科大学 2022-09-20 CN disclosed
CN-113004188-A Indole derivative, preparation method and application 沈阳药科大学 2021-06-22 CN disclosed