SCHEMBL9633545

SCHEMBL9633545

[N-]=[N+]=C1C=C(CCCP(=O)(O)O)C(Nc2ccccc2)=CC1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 1/20 0.36
S1PR4 O95977 1/20 0.36
S1PR1 P21453 1/20 0.36
S1PR3 Q99500 1/20 0.36

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
SCHEMBL9632663 0.77 NPC1 (0.31)
SCHEMBL9632677 0.76
SCHEMBL9633308 0.75 S1PR2 (0.34) S1PR2S1PR4S1PR1S1PR3
SCHEMBL9633633 0.74 SRC (0.34)
SCHEMBL8925475 0.71 MAP2K7 (0.34)
SCHEMBL9633581 0.70 CA12 (0.31) S1PR2S1PR4S1PR1S1PR3
SCHEMBL9634644 0.69
SCHEMBL9633972 0.69 S1PR1 (0.36) S1PR2S1PR4S1PR1S1PR3
SCHEMBL9632804 0.67 S1PR2 (0.31) S1PR2S1PR4S1PR1S1PR3
SCHEMBL9633549 0.64 GRIN2D (0.32)

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-0487343-A1 Process for preparing a lithographic plate Fuji Photo Film Co., Ltd. (JP) 1992-05-27 EP disclosed