SCHEMBL7430484

SCHEMBL7430484

O=C(O)CCCOc1cccc(NC(=O)Cc2ccc3nc(Nc4cccnc4)sc3c2)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.47
CSNK1D P48730 6/20 0.46
MAPT P10636 4/20 0.43
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
WNT3A P56704 2/20 0.42
LMNA P02545 2/20 0.42
POLB P06746 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
KMT2A Q03164 1/20 0.42
THRB P10828 1/20 0.42
DYRK2 Q92630 1/20 0.42
ROCK2 O75116 1/20 0.42
MITF O75030 1/20 0.42
APEX1 P27695 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL7426578 0.93 CSNK1D (0.46) EPHX2CSNK1DMAPTRAB9ANPC1
SCHEMBL7429855 0.92 CSNK1D (0.49) CSNK1DMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL7657273 0.82 EPHX2 (0.49) EPHX2POLBKDM4EMEN1ALDH1A1
SCHEMBL7428151 0.80 CSF1R (0.50) MAPTRAB9ANPC1SMN1; SMN2LMNA
SCHEMBL7665064 0.76 LCK (0.48) MAPTRAB9ANPC1SMN1; SMN2POLB
SCHEMBL7475860 0.74 RAB9A (0.48) MAPTRAB9ANPC1SMN1; SMN2LMNA
SCHEMBL6598330 0.73 P2RY14 (0.49) EPHX2SMN1; SMN2MEN1KMT2A
SCHEMBL6594493 0.71 HDAC6 (0.52) EPHX2SMN1; SMN2MEN1KMT2A
SCHEMBL7665075 0.71 MAPT (0.42) CSNK1DMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL7432860 0.70 MAPT (0.59) CSNK1DMAPTRAB9ANPC1SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1133484-A2 HETEROCYCLIC DERIVATIVES AND THEIR USE AS INTEGRIN INHIBITORS AstraZeneca AB (SE) 2001-09-19 EP disclosed
WO-2000005223-A2 HETEROCYCLIC DERIVATIVES AND THEIR USE AS INTEGRIN INHIBITORS ASTRAZENECA AB (SE) 2000-02-03 WO disclosed