SCHEMBL11907697

SCHEMBL11907697

O=P(O)(O)Oc1cc2cccnc2c2ncccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 5/20 0.49
▸ CCR8 P51685 5/20 0.49
▸ L3MBTL1 Q9Y468 4/20 0.49
▸ ALDH1A1 P00352 2/20 0.47
▸ MAPT P10636 2/20 0.47
▸ PTPN6 P29350 1/20 0.41
▸ PTPN11 Q06124 1/20 0.41
▸ INPPL1 O15357 5/20 0.40
▸ INPP5A Q14642 3/20 0.40
▸ CCR5 P51681 3/20 0.40
▸ INPP5B P32019 2/20 0.40
▸ HSP90AA1 P07900 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ GMNN O75496 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ MMP2 P08253 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ MMP9 P14780 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
SCHEMBL17146647 0.86 SRC (0.39) CCR1CCR8L3MBTL1ALDH1A1MAPT
SCHEMBL17174182 0.83 NPC1 (0.36) CCR1CCR8L3MBTL1ALDH1A1MAPT
SCHEMBL18806845 0.78 CCR1 (0.54) CCR1CCR8L3MBTL1ALDH1A1MAPT
SCHEMBL4461219 0.78 SRC (0.57) L3MBTL1ALDH1A1MAPTINPPL1INPP5A
SCHEMBL28947380 0.76 L3MBTL1 (0.53) CCR1CCR8L3MBTL1ALDH1A1MAPT
SCHEMBL197257 0.76 CCR1 (0.61) CCR1CCR8L3MBTL1ALDH1A1MAPT
SCHEMBL30062285 0.75 CCR1 (0.51) CCR1CCR8L3MBTL1ALDH1A1MAPT
SCHEMBL28295682 0.74 GPR84 (0.67) L3MBTL1ALDH1A1INPPL1INPP5AINPP5B
SCHEMBL10485602 0.73 KDM4E (0.61) L3MBTL1ALDH1A1MAPTHSP90AA1KDM4E
SCHEMBL28118327 0.73 SRC (0.52) L3MBTL1ALDH1A1MAPTINPPL1INPP5A

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-8450440-B2 Method for purifying polymer and polymer MITSUI CHEMICALS, INC. (JP) 2013-05-28 — — US disclosed
US-20120208976-A1 METHOD FOR PURIFYING POLYMER AND POLYMER MITSUI CHEMICALS, INC (JP) 2012-08-16 — — US disclosed
CN-102574989-A Polymer purification method and polymer MITSUI CHEMICALS INC 2012-07-11 — — CN disclosed
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