SCHEMBL8938453

SCHEMBL8938453

NC(=O)c1[nH]c2ccc(Cl)cc2c1S(=O)(=O)c1ccccn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2 P11137 14/20 0.52
KDM4E B2RXH2 2/20 0.45
PKM P14618 1/20 0.45
TUBB4A P04350 1/20 0.44
TUBB P07437 1/20 0.44
TUBA3C P0DPH7 1/20 0.44
TUBA1B P68363 1/20 0.44
TUBA4A P68366 1/20 0.44
TUBB4B P68371 1/20 0.44
TUBB3 Q13509 1/20 0.44
TUBB2A Q13885 1/20 0.44
TUBB8 Q3ZCM7 1/20 0.44
TUBA3E Q6PEY2 1/20 0.44
TUBA1A Q71U36 1/20 0.44
TUBA1C Q9BQE3 1/20 0.44
TUBB6 Q9BUF5 1/20 0.44
TUBB2B Q9BVA1 1/20 0.44
TUBB1 Q9H4B7 1/20 0.44
NR1H2 P55055 1/20 0.43
NR1H3 Q13133 1/20 0.43

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
L-737126 SCHEMBL31654105 0.82 MAP2 (0.61) MAP2KDM4ETUBB4ATUBBTUBA3C
L-737126 SCHEMBL2344264 0.82 MAP2 (0.61) MAP2KDM4ETUBB4ATUBBTUBA3C
SCHEMBL2349554 0.81 BRAF (0.52) MAP2KDM4ETUBB4ATUBBTUBA3C
SCHEMBL8938291 0.80 MAP2 (0.55) MAP2KDM4ETUBB4ATUBBTUBA3C
SCHEMBL8938269 0.80 MAP2 (0.51) MAP2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL8938448 0.80 MAP2 (0.48) MAP2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL8938304 0.79 MAP2 (0.59) MAP2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL8938370 0.79 TUBB4A (0.61) MAP2KDM4ETUBB4ATUBBTUBA3C
SCHEMBL8938268 0.79 TUBB4A (0.51) MAP2KDM4ETUBB4ATUBBTUBA3C
SCHEMBL8938309 0.78 MAP2 (0.58) MAP2KDM4ETUBB4ATUBBTUBA3C

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-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