SCHEMBL19790002

SCHEMBL19790002

CCCOc1ccc(C(C)NC)cc1OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.47
POLB P06746 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
FDPS P14324 3/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
ACHE P22303 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.43
CYP2D6 P10635 1/20 0.43
L3MBTL4 Q8NA19 1/20 0.42
L3MBTL3 Q96JM7 1/20 0.42
HPGD P15428 2/20 0.42
HSD17B10 Q99714 1/20 0.42
CALM1 P0DP23 1/20 0.42
NPC1 O15118 1/20 0.41
GAA P10253 1/20 0.41
RAB9A P51151 1/20 0.41
LIPG Q9Y5X9 1/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL11951555 0.84 FDPS (0.50) KDM4EPOLBTDP1FDPSSMN1; SMN2
SCHEMBL178554 0.84 ACHE (0.60) TDP1CA1CA2ACHESMN1; SMN2
Hydrochloric Acid SCHEMBL3657271 0.82 ACHE (0.58) TDP1CA1CA2ACHESMN1; SMN2
SCHEMBL20201966 0.82 CALM1 (0.37) KDM4EPOLBCALM1GAAALDH1A1
SCHEMBL462345 0.81 FDPS (0.55) KDM4EPOLBTDP1FDPSSMN1; SMN2
SCHEMBL16955884 0.81 FDPS (0.48) KDM4EPOLBTDP1FDPSSMN1; SMN2
SCHEMBL12446451 0.79 FDPS (0.46) KDM4EPOLBTDP1FDPSSMN1; SMN2
SCHEMBL11951574 0.78 PDE4A (0.44) KDM4EPOLBTDP1FDPSSMN1; SMN2
SCHEMBL11951552 0.76 KDM4E (0.50) KDM4EPOLBTDP1FDPSSMN1; SMN2
Hydrochloric Acid SCHEMBL7621625 0.75 GAA (0.54) KDM4EPOLBTDP1CA1CA2

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
EP-2582709-B1 AZOLOPYRIDIN-3-ONE DERIVATIVES AS INHIBITORS OF LIPASES AND PHOSPHOLIPASES SANOFI SA (FR) 2018-01-24 EP disclosed