SCHEMBL2189492

SCHEMBL2189492

CSc1ccccc1C(=O)N1N(C2C3CC4CC(C3)CC2C4)C(O)C1(C)C

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.44
ALDH1A1 P00352 2/20 0.43
HTT P42858 2/20 0.42
KMT2A Q03164 4/20 0.39
GAA P10253 2/20 0.38
HPGD P15428 2/20 0.38
MAPT P10636 1/20 0.38
MEN1 O00255 3/20 0.37
LMNA P02545 2/20 0.37
PREP P48147 1/20 0.36
MAPK1 P28482 1/20 0.35
USP2 O75604 1/20 0.35
HCRTR2 O43614 2/20 0.33
HCRTR1 O43613 1/20 0.33
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32

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
SCHEMBL3240375 0.82 HSD17B10 (0.44) HSD17B10ALDH1A1HTTKMT2AGAA
SCHEMBL2169693 0.66 ITGB1 (0.42) ALDH1A1HTTKMT2AHPGDMEN1
SCHEMBL2172271 0.66 KDM4E (0.39) HSD17B10ALDH1A1HTTKMT2AGAA
SCHEMBL2170645 0.65 GAA (0.45) ALDH1A1GAALMNAUSP2HCRTR2
SCHEMBL2168643 0.65 USP2 (0.36) ALDH1A1GAAUSP2
SCHEMBL2170385 0.65 P2RX7 (0.39) KMT2AGAAMEN1USP2
SCHEMBL2170594 0.65 USP2 (0.36) HSD17B10ALDH1A1GAAPREPUSP2
SCHEMBL2169957 0.65 EPHX2 (0.39) ALDH1A1HTTKMT2AMEN1USP2
SCHEMBL2169493 0.65 HTT (0.50) HSD17B10ALDH1A1HTTKMT2AGAA
SCHEMBL2168761 0.64 HCRTR1 (0.37) HSD17B10ALDH1A1KMT2AGAAMEN1

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-2348019-A1 1,2-DIAZETIDIN-3-ONE DERIVATIVE AND PHARMACEUTICAL AGENT COMPRISING SAME Kowa Company, Ltd. (JP) 2011-07-27 EP claimed
EP-2348019-A1 1,2-DIAZETIDIN-3-ONE DERIVATIVE AND PHARMACEUTICAL AGENT COMPRISING SAME Kowa Company, Ltd. (JP) 2011-07-27 EP disclosed