SCHEMBL28830775

SCHEMBL28830775

O=c1[nH]c(CCl)nc2ccc(I)cc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.56
RECQL P46063 1/20 0.56
TUBB4A P04350 2/20 0.51
TUBB P07437 2/20 0.51
TUBA3C P0DPH7 2/20 0.51
TUBA1B P68363 2/20 0.51
TUBA4A P68366 2/20 0.51
TUBB4B P68371 2/20 0.51
TUBB3 Q13509 2/20 0.51
TUBB2A Q13885 2/20 0.51
TUBB8 Q3ZCM7 2/20 0.51
TUBA3E Q6PEY2 2/20 0.51
TUBA1A Q71U36 2/20 0.51
TUBA1C Q9BQE3 2/20 0.51
TUBB6 Q9BUF5 2/20 0.51
TUBB2B Q9BVA1 2/20 0.51
TUBB1 Q9H4B7 2/20 0.51
PARP1 P09874 3/20 0.47
TYMS P04818 2/20 0.44
RAB9A P51151 4/20 0.43

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
SCHEMBL30259528 0.83 TUBB4A (0.68) KDM4ERECQLTUBB4ATUBBTUBA3C
SCHEMBL6928482 0.83 TUBB4A (0.68) KDM4ERECQLTUBB4ATUBBTUBA3C
SCHEMBL9501853 0.82 KDM4C (0.56) KDM4ETUBB4ATUBBTUBA3CTUBA1B
SCHEMBL30120616 0.81 KDM4E (0.56) KDM4ERECQLTUBB4ATUBBTUBA3C
SCHEMBL3110721 0.81 KDM4E (0.56) KDM4ERECQLTUBB4ATUBBTUBA3C
SCHEMBL23882052 0.81 KDM4E (0.59) KDM4ERECQLTUBB4ATUBBTUBA3C
SCHEMBL30120713 0.81 KDM4E (0.56) KDM4ERECQLTUBB4ATUBBTUBA3C
SCHEMBL3117638 0.81 KDM4E (0.56) KDM4ERECQLTUBB4ATUBBTUBA3C
SCHEMBL6930795 0.81 KDM4E (0.56) KDM4ERECQLTUBB4ATUBBTUBA3C
SCHEMBL27633513 0.81 KMT2A (0.68) KDM4ETUBB4ATUBBTUBA3CTUBA1B

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-115010671-B One-step synthesis method of 2-substituted quinazolinone 江苏大学 2023-10-10 CN disclosed
CN-115010671-A One-step synthesis method of 2-substituted quinazolinone 江苏大学 2022-09-06 CN disclosed