SCHEMBL8029352

SCHEMBL8029352

COc1cccc(NP)c1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
PABPC1 P11940 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA4 P22748 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
BRD4 O60885 1/20 0.42
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 4/20 0.41
GAA P10253 3/20 0.41
MAPK1 P28482 2/20 0.41
TSHR P16473 2/20 0.41
POLB P06746 1/20 0.41
CRHBP P24387 1/20 0.41

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
SCHEMBL2089084 0.81 SMN1; SMN2 (0.47) NPC1RAB9AL3MBTL1PABPC1SMN1; SMN2
SCHEMBL15127718 0.79 L3MBTL1 (0.45) NPC1RAB9AL3MBTL1PABPC1SMN1; SMN2
SCHEMBL28341328 0.79 NPC1 (0.45) NPC1RAB9AL3MBTL1PABPC1SMN1; SMN2
SCHEMBL2089081 0.79 NPC1 (0.45) NPC1RAB9AL3MBTL1PABPC1SMN1; SMN2
SCHEMBL28150154 0.79 BRD4 (0.46) NPC1RAB9AL3MBTL1PABPC1SMN1; SMN2
SCHEMBL28179996 0.79 NPC1 (0.45) NPC1RAB9AL3MBTL1PABPC1SMN1; SMN2
Bromide SCHEMBL20984396 0.78 L3MBTL1 (0.44) NPC1RAB9AL3MBTL1PABPC1SMN1; SMN2
Hydrochloric Acid SCHEMBL20984150 0.78 L3MBTL1 (0.44) NPC1RAB9AL3MBTL1PABPC1SMN1; SMN2
SCHEMBL25434306 0.77 CA1 (0.61) SMN1; SMN2CA12CA1CA2CA4
SCHEMBL151213 0.77 CA1 (0.61) SMN1; SMN2CA12CA1CA2CA4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6022945-A CATALYST IS COMPOSED OF A PHOSPHAZENE COMPOUND OR A PHOSPHAZENIUM SALT MITSUI CHEMICALS, INC. (JP) 2000-02-08 US disclosed
US-5952457-A CATALYST COMPOSED OF PHOSPHAZENE COMPOUND OR PHOSPHAZENIUM SALT WHICH IS DERIVED FROM THE PHOSPHAZENE COMPOUND AND AN ACTIVE HYDROGEN COMPOUND MITSUI CHEMICALS, INC. (JP) 1999-09-14 US disclosed
EP-0763555-A2 Alkylene oxide polymerisation catalysts MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1997-03-19 EP disclosed