SCHEMBL8938377

SCHEMBL8938377

NCc1[nH]c2ccccc2c1Sc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.62
KMT2A Q03164 4/20 0.62
L3MBTL1 Q9Y468 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
LMNA P02545 1/20 0.52
TUBB4A P04350 6/20 0.48
TUBB P07437 6/20 0.48
TUBA3C P0DPH7 6/20 0.48
TUBA1B P68363 6/20 0.48
TUBA4A P68366 6/20 0.48
TUBB4B P68371 6/20 0.48
TUBB3 Q13509 6/20 0.48
TUBB2A Q13885 6/20 0.48
TUBB8 Q3ZCM7 6/20 0.48
TUBA3E Q6PEY2 6/20 0.48
TUBA1A Q71U36 6/20 0.48
TUBA1C Q9BQE3 6/20 0.48
TUBB6 Q9BUF5 6/20 0.48
TUBB2B Q9BVA1 6/20 0.48
TUBB1 Q9H4B7 6/20 0.48

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
SCHEMBL8938380 0.82 MEN1 (0.61) MEN1KMT2AL3MBTL1SMN1; SMN2LMNA
SCHEMBL28455949 0.80 MEN1 (0.58) MEN1KMT2AL3MBTL1SMN1; SMN2LMNA
SCHEMBL29580346 0.79 TUBB4A (0.60) MEN1KMT2ATUBB4ATUBBTUBA3C
SCHEMBL8938441 0.76 MEN1 (0.54) MEN1KMT2AL3MBTL1SMN1; SMN2LMNA
SCHEMBL9685065 0.76 MEN1 (0.54) MEN1KMT2AL3MBTL1SMN1; SMN2LMNA
SCHEMBL28454399 0.75 TUBB4A (0.61) MEN1KMT2ATUBB4ATUBBTUBA3C
SCHEMBL10735550 0.75 TUBB4A (0.53) MEN1KMT2AL3MBTL1SMN1; SMN2LMNA
SCHEMBL8535785 0.74 TUBB4A (0.61) MEN1KMT2AL3MBTL1SMN1; SMN2TUBB4A
SCHEMBL10740937 0.74 TUBB4A (0.51) MEN1KMT2AL3MBTL1SMN1; SMN2LMNA
SCHEMBL9684170 0.73 MEN1 (0.51) MEN1KMT2AL3MBTL1SMN1; SMN2LMNA

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-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
EP-0678508-A1 Indoles as inhibitors of HIV reverse transcriptase MERCK & CO. INC. (US) 1995-10-25 EP disclosed
WO-1994019321-A1 INHIBITORS OF HIV REVERSE TRANSCRIPTASE MERCK & CO., INC. (US) 1994-09-01 WO disclosed
WO-1993005020-A1 INDOLES AS INHIBITORS OF HIV REVERSE TRANSCRIPTASE MERCK & CO., INC. (US) 1993-03-18 WO disclosed
EP-0530907-A1 Indoles as inhibitors of HIV reverse transcriptase MERCK & CO. INC. (US) 1993-03-10 EP disclosed