SCHEMBL25224944

SCHEMBL25224944

COc1ccc(N(C)c2cc(C#N)nc3ccccc23)cc1[N+](=O)[O-]

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 1/20 0.59
TUBB P07437 1/20 0.59
TUBA3C P0DPH7 1/20 0.59
TUBA1B P68363 1/20 0.59
TUBA4A P68366 1/20 0.59
TUBB4B P68371 1/20 0.59
TUBB3 Q13509 1/20 0.59
TUBB2A Q13885 1/20 0.59
TUBB8 Q3ZCM7 1/20 0.59
TUBA3E Q6PEY2 1/20 0.59
TUBA1A Q71U36 1/20 0.59
HDAC11 Q96DB2 1/20 0.59
TUBA1C Q9BQE3 1/20 0.59
TUBB6 Q9BUF5 1/20 0.59
TUBB2B Q9BVA1 1/20 0.59
HDAC8 Q9BY41 1/20 0.59
TUBB1 Q9H4B7 1/20 0.59
HDAC6 Q9UBN7 1/20 0.59
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 6/20 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
SCHEMBL24224674 0.83 HDAC8 (0.62) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL21834366 0.82 HDAC8 (0.61) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL30444040 0.82 HDAC11 (0.61) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL21883061 0.82 HDAC8 (0.64) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL30444047 0.82 HDAC8 (0.61) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
Methane SCHEMBL25561053 0.82 HDAC8 (0.61) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL21834371 0.82 HDAC11 (0.61) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL25561087 0.78 HDAC8 (0.65) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL21882937 0.78 HDAC8 (0.57) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL30667373 0.74 HDAC8 (1.00) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117551032-A Drug conjugates comprising quinoline derivatives 国家科学研究中心 2024-02-13 CN disclosed
CN-112955434-B Drug conjugates comprising quinoline derivatives 国家科学研究中心 2023-12-08 CN disclosed
EP-3853208-B1 DRUG CONJUGATE COMPRISING QUINOLINE DERIVATIVES CENTRE NAT RECH SCIENT (FR) 2023-06-07 EP disclosed
EP-3853208-B1 DRUG CONJUGATE COMPRISING QUINOLINE DERIVATIVES CENTRE NAT RECH SCIENT (FR) 2023-06-07 EP disclosed
CN-112955434-A Drug conjugates comprising quinoline derivatives 国家科学研究中心 2021-06-11 CN disclosed