SCHEMBL17178148

SCHEMBL17178148

O=C(O)c1cc(-c2ccc3ccc4ccc(-c5cccc(OP(O)O)c5)nc4c3n2)cc(-c2ccc3ccc4ccc(-c5cccc(O[PH](=O)O)c5)nc4c3n2)c1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CSNK2A1 P68400 1/20 0.35
▸ PARP1 P09874 1/20 0.34
▸ F2 P00734 1/20 0.32
▸ F10 P00742 1/20 0.32
▸ CTRC Q99895 1/20 0.32
▸ KMO O15229 2/20 0.32
▸ FABP1 P07148 2/20 0.32
▸ P2RX3 P56373 1/20 0.32
▸ RXRA P19793 2/20 0.32
▸ RXRB P28702 2/20 0.32
▸ MCL1 Q07820 1/20 0.32
▸ DHODH Q02127 1/20 0.31
▸ STIM1 Q13586 1/20 0.31
▸ ORAI1 Q96D31 1/20 0.31
▸ MAP4K4 O95819 2/20 0.31

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
SCHEMBL17178144 0.92 MAP4K4 (0.34) PARP1MAP4K4
SCHEMBL17178143 0.76 PARP1 (0.45) PARP1CTRCMCL1
SCHEMBL17178146 0.76 PARP1 (0.44) PARP1MCL1MAP4K4
SCHEMBL17178142 0.75 KMO (0.56) PARP1KMORXRARXRBDHODH
SCHEMBL17178145 0.75 PARP1 (0.41) PARP1MCL1
SCHEMBL17146609 0.74 LMNA (0.39) PARP1MAP4K4
SCHEMBL17174087 0.73 KMO (0.42) PARP1KMODHODHSTIM1ORAI1
SCHEMBL17178162 0.73 MAP4K4 (0.36) PARP1P2RX3MAP4K4
SCHEMBL17178141 0.72 KMO (0.59) PARP1KMORXRARXRB
SCHEMBL17178164 0.72 MAP4K4 (0.37) PARP1DHODHMAP4K4

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
US-9748593-B2 Polymer electrolyte composition, and polymer electrolyte membrane, membrane electrode complex and solid polymer-type fuel cell each produced using same TORAY INDUSTRIES, INC. (JP) 2017-08-29 — — US disclosed
US-20150295262-A1 POLYMER ELECTROLYTE COMPOSITION, AND POLYMER ELECTROLYTE MEMBRANE, MEMBRANE ELECTRODE COMPLEX AND SOLID POLYMER-TYPE FUEL CELL EACH PRODUCED USING SAME TORAY INDUSTRIES, INC. (JP) 2015-10-15 — — US disclosed
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