SCHEMBL22452273

SCHEMBL22452273

Cc1ccc(C=O)cc1N=[N+]=[N-]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 1/20 0.55
TUBB P07437 1/20 0.55
TUBA3C P0DPH7 1/20 0.55
TUBA1B P68363 1/20 0.55
TUBA4A P68366 1/20 0.55
TUBB4B P68371 1/20 0.55
TUBB3 Q13509 1/20 0.55
TUBB2A Q13885 1/20 0.55
TUBB8 Q3ZCM7 1/20 0.55
TUBA3E Q6PEY2 1/20 0.55
TUBA1A Q71U36 1/20 0.55
TUBA1C Q9BQE3 1/20 0.55
TUBB6 Q9BUF5 1/20 0.55
TUBB2B Q9BVA1 1/20 0.55
TUBB1 Q9H4B7 1/20 0.55
CYP2A6 P11509 4/20 0.38
ALDH1A1 P00352 7/20 0.37
ALDH1A3 P47895 4/20 0.37
TSHR P16473 1/20 0.35
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL22604902 0.86 TUBB4A (0.41) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL22452406 0.83 TUBB4A (0.38) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL22452380 0.79 TUBB4A (0.38) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL24422865 0.79 CYP2A6 (0.44) CYP2A6ALDH1A1ALDH1A3TSHRKDM4E
SCHEMBL18970011 0.79 KDM4E (0.52) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL28057799 0.79 ALDH1A1 (0.37) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL22452367 0.77 TUBB4A (0.38) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL13531113 0.77 CYP2A6 (0.43) CYP2A6ALDH1A1ALDH1A3TSHRKDM4E
SCHEMBL22604964 0.75 ALDH1A1 (0.40) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL20522779 0.75 SLC6A3 (0.42) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11913944-B2 Photoaffinity probes PROMEGA CORPORATION (US) 2024-02-27 US disclosed
US-11913944-B2 Photoaffinity probes PROMEGA CORPORATION (US) 2024-02-27 US disclosed
US-20200340982-A1 PHOTOAFFINITY PROBES PROMEGA CORPORATION 2020-10-29 US disclosed
WO-2020191339-A1 PHOTOAFFINITY PROBES PROMEGA CORPORATION (US) 2020-09-24 WO disclosed