SCHEMBL9634334

SCHEMBL9634334

[N-]=[N+]=C1CC=C(Nc2ccccc2)C=C1P(O)O

nearest known ligand 0.31

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.31
ALDH1A1 P00352 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
ALOX12 P18054 1/20 0.31
PTGS1 P23219 1/20 0.31
SLC6A2 P23975 1/20 0.31
MAPK1 P28482 1/20 0.31
PTGS2 P35354 1/20 0.31
HTR2B P41595 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 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
SCHEMBL9633580 0.79
SCHEMBL9633559 0.76 CA12 (0.31)
SCHEMBL1868281 0.75 IDO1 (0.33) HSD17B10ALDH1A1MAPK1L3MBTL1
Hydrochloric Acid SCHEMBL11327236 0.75 HSD17B10 (0.31) HSD17B10
SCHEMBL9685977 0.75 HSD17B10 (0.31) HSD17B10
Hydrochloric Acid SCHEMBL8414521 0.73 IDO1 (0.32) ALDH1A1MAPK1L3MBTL1
SCHEMBL9685062 0.73 GAA (0.33) HSD17B10MAPK1L3MBTL1
SCHEMBL9685048 0.73 ALDH1A1 (0.37) ALDH1A1
SCHEMBL9633301 0.73 SRC (0.37) HSD17B10ALDH1A1
SCHEMBL10905077 0.72 AKR1C3 (0.32) ALDH1A1ALOX15MAPK1L3MBTL1

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