SCHEMBL13699482

SCHEMBL13699482

O=[N+]([O-])c1ccc2nn(-c3ccc4c(OCCO)nccc4c3O)nc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ IDO1 P14902 1/20 0.38
▸ TDP1 Q9NUW8 2/20 0.36
▸ TSHR P16473 1/20 0.36
▸ PTK2 Q05397 1/20 0.36
▸ KDR P35968 1/20 0.36
▸ CNR2 P34972 2/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ CNR1 P21554 1/20 0.35
▸ ACHE P22303 1/20 0.35
▸ POLB P06746 2/20 0.34
▸ MAPT P10636 4/20 0.34
▸ PKM P14618 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ S100A4 P26447 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ LMNA P02545 1/20 0.33

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
SCHEMBL13700622 0.91 MEN1 (0.46) MEN1KMT2ATDP1PTK2KDR
SCHEMBL13700610 0.83 PARP1 (0.44) MEN1KMT2AKDM4EALDH1A1POLB
SCHEMBL13700596 0.83 ACSS2 (0.36) IDO1TSHRKDM4EALDH1A1POLB
SCHEMBL13700602 0.82 NPC1 (0.32) —
SCHEMBL13700601 0.82 MAPT (0.33) ALDH1A1MAPTLMNA
SCHEMBL13700598 0.81 ADRB2 (0.34) KDRKDM4EPOLBPKMCYP19A1
SCHEMBL13700615 0.80 NPC1 (0.41) MEN1KMT2ATSHRKDM4EALDH1A1
SCHEMBL13699420 0.80 PLK1 (0.35) MEN1KMT2ATDP1KDM4EALDH1A1
SCHEMBL13700619 0.78 PDE2A (0.35) MEN1KMT2AKDM4EALDH1A1POLB
SCHEMBL13700617 0.77 ALDH1A1 (0.39) MEN1KMT2ATDP1TSHRKDR

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-8324399-B2 Heat resistance improver and reversible thermosensitive recording medium RICOH COMPANY, LTD. (JP) 2012-12-04 — — US disclosed
US-20090239747-A1 HEAT RESISTANCE IMPROVER AND REVERSIBLE THERMOSENSITIVE RECORDING MEDIUM RICOH COMPANY, LTD. (JP) 2009-09-24 — — US disclosed
EP-2103445-A1 Heat resistance improver and reversible thermosensitive recording medium Ricoh Company, Ltd. (JP) 2009-09-23 — — EP disclosed
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