SCHEMBL7546931

SCHEMBL7546931

NCCCn1c(/C=C/c2ccccc2)nc2cc(Cl)ccc2c1=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.60
KMT2A Q03164 6/20 0.60
EGFR P00533 1/20 0.56
LMNA P02545 5/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
KDM4E B2RXH2 4/20 0.54
MAPK1 P28482 1/20 0.54
TUBB4A P04350 2/20 0.52
TUBB P07437 2/20 0.52
TUBA3C P0DPH7 2/20 0.52
TUBA1B P68363 2/20 0.52
TUBA4A P68366 2/20 0.52
TUBB4B P68371 2/20 0.52
TUBB3 Q13509 2/20 0.52
TUBB2A Q13885 2/20 0.52
TUBB8 Q3ZCM7 2/20 0.52
TUBA3E Q6PEY2 2/20 0.52
TUBA1A Q71U36 2/20 0.52
TUBA1C Q9BQE3 2/20 0.52
TUBB6 Q9BUF5 2/20 0.52

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
SCHEMBL7546935 1.00 MEN1 (0.60) MEN1KMT2AEGFRLMNASMN1; SMN2
SCHEMBL6310500 0.92 TUBB4A (0.61) MEN1KMT2AEGFRLMNASMN1; SMN2
SCHEMBL6310494 0.92 TUBB4A (0.61) MEN1KMT2AEGFRLMNASMN1; SMN2
SCHEMBL6315133 0.87 KMT2A (0.77) MEN1KMT2ALMNASMN1; SMN2KDM4E
SCHEMBL6315127 0.87 KMT2A (0.77) MEN1KMT2ALMNASMN1; SMN2KDM4E
SCHEMBL6309335 0.87 MEN1 (0.57) MEN1KMT2AEGFRLMNASMN1; SMN2
SCHEMBL6309338 0.87 MEN1 (0.57) MEN1KMT2AEGFRLMNASMN1; SMN2
SCHEMBL6313885 0.84 ALDH1A1 (0.49) MEN1KMT2AEGFRLMNASMN1; SMN2
SCHEMBL6313888 0.84 ALDH1A1 (0.49) MEN1KMT2AEGFRLMNASMN1; SMN2
SCHEMBL6315896 0.81 MEN1 (0.58) MEN1KMT2ALMNASMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1216235-A1 QUINAZOLINONES MERCK PATENT GmbH (DE) 2002-06-26 EP disclosed
WO-2001023365-A1 QUINAZOLINONES MERCK PATENT GMBH (DE) 2001-04-05 WO disclosed