SCHEMBL28113592

SCHEMBL28113592

O=COC(Cc1ccccc1)Cc1n[nH]c(=O)[nH]1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
DAO P14920 3/20 0.41
LMNA P02545 1/20 0.38
ALDH1A1 P00352 3/20 0.36
BTK Q06187 1/20 0.36
TACR1 P25103 4/20 0.35
EPHX1 P07099 1/20 0.35
HPGD P15428 2/20 0.34
CTSK P43235 1/20 0.34
GLA P06280 1/20 0.33
CYP2C9 P11712 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33

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
SCHEMBL18085416 0.81 EPHX1 (0.48) EPHX1CTSKMEN1KMT2ATAAR1
SCHEMBL28045695 0.79 CTSK (0.34) EPHX1CTSKMEN1KMT2ATAAR1
SCHEMBL28814855 0.76 MMP2 (0.37) DAOCTSKMEN1KMT2ATAAR1
SCHEMBL28113594 0.76 TDP1 (0.38) DAOLMNAALDH1A1CTSKGLA
SCHEMBL28045730 0.75 CTSK (0.37) LMNAALDH1A1EPHX1CTSKMEN1
SCHEMBL27498107 0.74 BRD4 (0.42) TSHRLMNAALDH1A1HPGDMEN1
SCHEMBL28113598 0.74 CTSK (0.34) EPHX1CTSKMEN1KMT2ATAAR1
SCHEMBL27931420 0.73 RAB9A (0.39) ALDH1A1EPHX1HPGDKMT2A
SCHEMBL27963119 0.73 LMNA (0.45) LMNACYP2C9
SCHEMBL28061404 0.71 EPHX1 (0.35) EPHX1CTSKMEN1KMT2ATAAR1

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
CN-106304835-A Sgc stimulant 铁木医药有限公司 2017-01-04 CN disclosed