SCHEMBL8687789

SCHEMBL8687789

O=C(O)c1[nH]c2ccc(Cl)cc2c1S(=O)(=O)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2 P11137 4/20 0.59
TUBB4A P04350 2/20 0.58
TUBB P07437 2/20 0.58
TUBA3C P0DPH7 2/20 0.58
TUBA1B P68363 2/20 0.58
TUBA4A P68366 2/20 0.58
TUBB4B P68371 2/20 0.58
TUBB3 Q13509 2/20 0.58
TUBB2A Q13885 2/20 0.58
TUBB8 Q3ZCM7 2/20 0.58
TUBA3E Q6PEY2 2/20 0.58
TUBA1A Q71U36 2/20 0.58
TUBA1C Q9BQE3 2/20 0.58
TUBB6 Q9BUF5 2/20 0.58
TUBB2B Q9BVA1 2/20 0.58
TUBB1 Q9H4B7 2/20 0.58
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
POLB P06746 4/20 0.46
MAPT P10636 3/20 0.45

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
SCHEMBL8938265 0.92 TUBB4A (0.62) MAP2TUBB4ATUBBTUBA3CTUBA1B
Guanidine SCHEMBL8688457 0.90 TUBB4A (0.55) MAP2TUBB4ATUBBTUBA3CTUBA1B
L-737126 SCHEMBL2344264 0.90 MAP2 (0.61) MAP2TUBB4ATUBBTUBA3CTUBA1B
L-737126 SCHEMBL31654105 0.90 MAP2 (0.61) MAP2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL4410863 0.86 KDM4E (0.63) MAP2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL2879576 0.86 TUBB4A (0.53) MAP2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL4395705 0.86 TUBB4A (0.53) MAP2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL2879561 0.85 TUBB4A (0.54) MAP2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL2881831 0.84 TUBB4A (0.51) MAP2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL2879565 0.84 TUBB4A (0.51) MAP2TUBB4ATUBBTUBA3CTUBA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5852046-A Benzo-fused heterocyclic compounds having a 5-membered ring processes for their preparation their use as medicaments their use as diagnostic agents and medicaments containing them HOECHST AKTIENGESELLSCHAFT (DE) 1998-12-22 US disclosed
US-5527819-A TREATING AIDS MERCK & CO., INC. (US) 1996-06-18 US disclosed
CN-1119856-A Hiv reverse transcriptase inhibitors MERCK & CO INC (US) 1996-04-03 CN 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
EP-0639573-A1 Benzocondensed five membered heterocycles, process of their preparation, their use as drug, as diagnostic means and pharmaceuticals containing it HOECHST AKTIENGESELLSCHAFT (DE) 1995-02-22 EP disclosed
WO-1994019321-A1 INHIBITORS OF HIV REVERSE TRANSCRIPTASE MERCK & CO., INC. (US) 1994-09-01 WO disclosed