SCHEMBL29623326

SCHEMBL29623326

O=c1c2cc(Cl)ccc2nc(Nc2ccc(Cl)cc2)n1-c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.48
JUN P05412 2/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
TUBB4A P04350 1/20 0.47
TUBB P07437 1/20 0.47
TUBA3C P0DPH7 1/20 0.47
TUBA1B P68363 1/20 0.47
TUBA4A P68366 1/20 0.47
TUBB4B P68371 1/20 0.47
TUBB3 Q13509 1/20 0.47
TUBB2A Q13885 1/20 0.47
TUBB8 Q3ZCM7 1/20 0.47
TUBA3E Q6PEY2 1/20 0.47
TUBA1A Q71U36 1/20 0.47
TUBA1C Q9BQE3 1/20 0.47
TUBB6 Q9BUF5 1/20 0.47
TUBB2B Q9BVA1 1/20 0.47
TUBB1 Q9H4B7 1/20 0.47

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
SCHEMBL24090094 1.00 TP53 (0.48) TP53JUNNFKB1NFKB2RELA
SCHEMBL24089978 0.96 TUBB4A (0.48) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL23958280 0.91 TUBB4A (0.47) JUNNFKB1NFKB2RELATUBB4A
SCHEMBL29623225 0.91 KDM4E (0.44) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL29623120 0.91 TUBB4A (0.47) TP53JUNNFKB1NFKB2RELA
SCHEMBL23045339 0.91 TUBB4A (0.47) TP53JUNNFKB1NFKB2RELA
SCHEMBL23045330 0.91 KDM4E (0.44) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL23065140 0.90 KDM1A (0.57) JUNNFKB1NFKB2RELATUBB4A
SCHEMBL23045337 0.90 TDP2 (0.43) TP53JUNNFKB1NFKB2RELA
SCHEMBL29623167 0.90 TDP2 (0.43) TP53JUNNFKB1NFKB2RELA

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-114650986-A 2-aminoquinazolinone derivatives 住友制药株式会社 2022-06-21 CN claimed
CN-114650986-A 2-aminoquinazolinone derivatives 住友制药株式会社 2022-06-21 CN disclosed