SCHEMBL9854058

SCHEMBL9854058

N#[N+]c1ccc(Nc2ccccc2)cc1.N#[N+]c1ccc(Nc2ccccc2)cc1.N#[N+]c1ccc(Nc2ccccc2)cc1.N#[N+]c1ccc(Nc2ccccc2)cc1.N#[N+]c1ccc(Nc2ccccc2)cc1.N#[N+]c1ccc(Nc2ccccc2)cc1.N#[N+]c1ccc(Nc2ccccc2)cc1.N#[N+]c1ccc(Nc2ccccc2)cc1.N#[N+]c1ccc(Nc2ccccc2)cc1.N#[N+]c1ccc(Nc2ccccc2)cc1.N#[N+]c1ccc(Nc2ccccc2)cc1.N#[N+]c1ccc(Nc2ccccc2)cc1.O=P([O-])([O-])F.O=P([O-])([O-])F.O=P([O-])([O-])F.O=P([O-])([O-])F.O=P([O-])([O-])F.O=P([O-])([O-])F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
HSD17B10 Q99714 5/20 0.45
ALOX12 P18054 4/20 0.45
L3MBTL1 Q9Y468 4/20 0.45
TSHR P16473 3/20 0.45
TDP1 Q9NUW8 3/20 0.45
ALOX15 P16050 2/20 0.45
PTGS1 P23219 1/20 0.45
SLC6A2 P23975 1/20 0.45
MAPK1 P28482 1/20 0.45
PTGS2 P35354 1/20 0.45
HTR2B P41595 1/20 0.45
HPGD P15428 3/20 0.41
MEN1 O00255 6/20 0.39
KMT2A Q03164 6/20 0.39
CYP3A4 P08684 4/20 0.39
HTT P42858 2/20 0.39
CASP3 P42574 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
HSP90AA1 P07900 1/20 0.39

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
Phosphoric Acid SCHEMBL5718136 0.93 ALDH1A1 (0.48) ALDH1A1HSD17B10ALOX12L3MBTL1TSHR
Phosphoric Acid SCHEMBL5718141 0.90 ALDH1A1 (0.45) ALDH1A1HSD17B10ALOX12L3MBTL1TSHR
SCHEMBL741543 0.85 ALDH1A1 (0.62) ALDH1A1HSD17B10ALOX12L3MBTL1TSHR
Formaldehyde SCHEMBL8778614 0.83 ALDH1A1 (0.54) ALDH1A1HSD17B10ALOX12L3MBTL1TSHR
Bromide SCHEMBL8910214 0.83 ALDH1A1 (0.59) ALDH1A1HSD17B10ALOX12L3MBTL1TSHR
SCHEMBL16632208 0.83 CA4 (0.36) ALDH1A1
SCHEMBL9877828 0.83 CA4 (0.36) ALDH1A1
Hydrochloric Acid SCHEMBL8911949 0.83 ALDH1A1 (0.59) ALDH1A1HSD17B10ALOX12L3MBTL1TSHR
Sulfuric Acid SCHEMBL2959599 0.82 ALDH1A1 (0.48) ALDH1A1HSD17B10ALOX12L3MBTL1TSHR
SCHEMBL5196671 0.82 ALDH1A1 (0.52) ALDH1A1HSD17B10ALOX12L3MBTL1TSHR

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-0414100-A2 Photosensitive positive working mixture BASF Aktiengesellschaft (DE) 1991-02-27 EP disclosed