SCHEMBL8018850

SCHEMBL8018850

CO[C@@H]1C[C@@H](CO)C(NC(=S)NC(=O)OCC2c3ccccc3-c3ccccc32)(c2ccccc2F)C1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.35
DPP8 Q6V1X1 1/20 0.35
DPP9 Q86TI2 1/20 0.35
EPHX2 P34913 1/20 0.34
CASP3 P42574 1/20 0.32
CHRM3 P20309 2/20 0.31
FABP5 Q01469 1/20 0.31
MDM4 O15151 1/20 0.30
TP53 P04637 1/20 0.30
MDM2 Q00987 1/20 0.30

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
SCHEMBL2619847 1.00 KMT2A (0.35) KMT2ADPP8DPP9EPHX2CASP3
SCHEMBL2619850 1.00 KMT2A (0.35) KMT2ADPP8DPP9EPHX2CASP3
SCHEMBL8028572 1.00 KMT2A (0.35) KMT2ADPP8DPP9EPHX2CASP3
SCHEMBL2926269 1.00 KMT2A (0.35) KMT2ADPP8DPP9EPHX2CASP3
SCHEMBL4359876 0.83 EPHX1 (0.34)
SCHEMBL2619825 0.81 KMT2A (0.36) KMT2ADPP8DPP9EPHX2CASP3
SCHEMBL7918847 0.81 KMT2A (0.36) KMT2ADPP8DPP9EPHX2CASP3
SCHEMBL2108782 0.80
SCHEMBL2108751 0.80
SCHEMBL2108748 0.80

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-2009091016-A1 CONDENSED AMINODIHYDROTHIAZINE DERIVATIVE EISAI R & D MANAGEMENT CO., LTD. (JP) 2009-07-23 WO disclosed