SCHEMBL6402029

SCHEMBL6402029

COc1ccc(CNC(=S)[C@H](NC(=O)[C@@H]2N(C(=O)OC(C)(C)C)CC[S@+]2[O-])C(C)C2CCCCC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
ALDH1A1 P00352 5/20 0.45
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MAPT P10636 1/20 0.39
TP53 P04637 2/20 0.38
POLB P06746 1/20 0.37
STS P08842 1/20 0.37
CACNA1B Q00975 1/20 0.37

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
SCHEMBL4845129 0.87 ALDH1A1 (0.45) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL7768824 0.79 KMT2A (0.42) MEN1KMT2AALDH1A1LMNAPOLB
SCHEMBL4845114 0.79 CACNA1B (0.48) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL6403388 0.77 KMT2A (0.44) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL4836119 0.72 KMT2A (0.46) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL5353390 0.71 KMT2A (0.56) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL5344798 0.70 ALDH1A1 (0.46) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL5753566 0.70 ALDH1A1 (0.46) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL5350729 0.70 ALDH1A1 (0.46) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL5355130 0.70 BRD4 (0.40) MEN1KMT2AALDH1A1LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6903119-B1 Amino acid derivatives and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2005-06-07 US disclosed