SCHEMBL8938397

SCHEMBL8938397

Nc1cccc(CNC(=O)c2[nH]c3ccc(Cl)cc3c2S(=O)(=O)c2ccccc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 2/20 0.49
TUBB P07437 2/20 0.49
TUBA3C P0DPH7 2/20 0.49
TUBA1B P68363 2/20 0.49
TUBA4A P68366 2/20 0.49
TUBB4B P68371 2/20 0.49
TUBB3 Q13509 2/20 0.49
TUBB2A Q13885 2/20 0.49
TUBB8 Q3ZCM7 2/20 0.49
TUBA3E Q6PEY2 2/20 0.49
TUBA1A Q71U36 2/20 0.49
TUBA1C Q9BQE3 2/20 0.49
TUBB6 Q9BUF5 2/20 0.49
TUBB2B Q9BVA1 2/20 0.49
TUBB1 Q9H4B7 2/20 0.49
NAMPT P43490 1/20 0.49
CNR1 P21554 4/20 0.46
PTGS2 P35354 2/20 0.46
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL8938481 0.91 TUBB (0.53) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL8938465 0.90 TUBB (0.50) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL8938394 0.86 TUBB4A (0.45) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL8938452 0.86 TUBB4A (0.66) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL8938316 0.85 TUBB4A (0.49) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL8938472 0.85 TUBB4A (0.49) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL8938294 0.85 AKR1B1 (0.49) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL8938426 0.85 TUBB (0.49) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL8938242 0.84 TUBB4A (0.46) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL8938438 0.84 TUBB4A (0.46) 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
US-5527819-A TREATING AIDS MERCK & CO., INC. (US) 1996-06-18 US claimed
US-5527819-A TREATING AIDS MERCK & CO., INC. (US) 1996-06-18 US disclosed
EP-0686148-A4 INHIBITORS OF HIV REVERSE TRANSCRIPTASE MERCK & CO INC (US) 1996-02-07 EP disclosed
EP-0686148-A1 INHIBITORS OF HIV REVERSE TRANSCRIPTASE MERCK & CO. INC. (US) 1995-12-13 EP disclosed
WO-1994019321-A1 INHIBITORS OF HIV REVERSE TRANSCRIPTASE MERCK & CO., INC. (US) 1994-09-01 WO disclosed