SCHEMBL10024368

SCHEMBL10024368

COC(=O)[C@@H]1C[C@H](c2ccc(C)cc2)N1C(=O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
ALDH1A1 P00352 2/20 0.52
POLB P06746 1/20 0.52
TSHR P16473 2/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
FFAR2 O15552 4/20 0.43
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
MMP2 P08253 1/20 0.42
RECQL P46063 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
MAOA P21397 2/20 0.40
MAOB P27338 2/20 0.40
ACHE P22303 1/20 0.39

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
SCHEMBL10024369 1.00 KMT2A (0.52) KMT2AMEN1ALDH1A1POLBTSHR
SCHEMBL10024197 0.90 KMT2A (0.52) KMT2AMEN1ALDH1A1POLBCYP3A4
SCHEMBL10024198 0.90 KMT2A (0.52) KMT2AMEN1ALDH1A1POLBCYP3A4
SCHEMBL10024366 0.89 KMT2A (0.66) KMT2AMEN1ALDH1A1POLBFFAR2
SCHEMBL10024367 0.89 KMT2A (0.66) KMT2AMEN1ALDH1A1POLBFFAR2
SCHEMBL10024020 0.84 KMT2A (0.49) KMT2AMEN1ALDH1A1POLBFFAR2
SCHEMBL10024363 0.84 KMT2A (0.49) KMT2AMEN1ALDH1A1POLBFFAR2
SCHEMBL8307399 0.82 KMT2A (0.57) KMT2AMEN1ALDH1A1POLBTSHR
SCHEMBL8307397 0.82 KMT2A (0.57) KMT2AMEN1ALDH1A1POLBTSHR
SCHEMBL8307395 0.82 KMT2A (0.57) KMT2AMEN1ALDH1A1POLBTSHR

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
WO-2012017114-A1 METHOD FOR OBTAINING AZETIDINE DERIVATIVES CONSEJO SUPERIOR DE INVESTIGACIONES CIENTÍFICAS (CSIC) (ES) 2012-02-09 WO disclosed