SCHEMBL9424973

SCHEMBL9424973

O=C(O)c1cccc2nc3ccccc3cc12.O=S(=O)(O)F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
NR4A1 P22736 1/20 0.50
NR4A2 P43354 1/20 0.50
NR4A3 Q92570 1/20 0.50
KMT2A Q03164 4/20 0.46
KDM4E B2RXH2 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
LMNA P02545 2/20 0.46
GLA P06280 2/20 0.46
HPGD P15428 2/20 0.46
POLB P06746 1/20 0.46
GAA P10253 1/20 0.46
PTBP1 P26599 1/20 0.46
RCE1 Q9Y256 1/20 0.46
MEN1 O00255 3/20 0.44
PTPN1 P18031 1/20 0.44
TP53 P04637 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL222908 0.91 NR4A1 (0.60) ALDH1A1NR4A1NR4A2NR4A3KMT2A
Acridine SCHEMBL29774329 0.89 NR4A1 (0.58) ALDH1A1NR4A1NR4A2NR4A3KMT2A
Hydrochloric Acid SCHEMBL9083721 0.89 NR4A1 (0.58) ALDH1A1NR4A1NR4A2NR4A3KMT2A
SCHEMBL8850857 0.89 NR4A1 (0.58) ALDH1A1NR4A1NR4A2NR4A3KMT2A
Acridine SCHEMBL31147690 0.89 NR4A1 (0.58) ALDH1A1NR4A1NR4A2NR4A3KMT2A
Water SCHEMBL7769203 0.89 NR4A1 (0.58) ALDH1A1NR4A1NR4A2NR4A3KMT2A
SCHEMBL725676 0.84 MAPT (0.51) ALDH1A1KMT2AKDM4ENPC1RAB9A
SCHEMBL27356901 0.80 ALDH1A1 (0.55) ALDH1A1NR4A1NR4A2NR4A3KMT2A
SCHEMBL5352931 0.79 ALDH1A1 (0.53) ALDH1A1NR4A1NR4A2NR4A3KMT2A
SCHEMBL3296316 0.78 KMT2A (0.54) ALDH1A1NR4A1NR4A2NR4A3KMT2A

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-5290936-A Indicators or labels for antibodies or medical diagnosis LONDON DIAGNOSTICS, INC. (US) 1994-03-01 US disclosed
US-5284951-A Aryl ester, thioester or amide of carboxylic acid substituted heterocyclic ring; quaternary compounds LONDON DIAGNOSTICS, INC. (US) 1994-02-08 US disclosed
US-5283334-A Side-chain functional chemiluminescent labels and their conjugates, and assays therefrom LONDON DIAGNOSTICS, INC. (US) 1994-02-01 US disclosed