SCHEMBL11022121

SCHEMBL11022121

O=C(c1ccccc1)c1cccc2nc3ccccc3cc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.51
ALDH1A1 P00352 6/20 0.50
GAA P10253 3/20 0.50
KDM4E B2RXH2 3/20 0.50
GLA P06280 3/20 0.50
LMNA P02545 2/20 0.50
POLB P06746 2/20 0.50
KMT2A Q03164 2/20 0.50
HPGD P15428 2/20 0.50
NPC1 O15118 1/20 0.50
PTBP1 P26599 1/20 0.50
RAB9A P51151 1/20 0.50
RCE1 Q9Y256 1/20 0.50
MAPT P10636 3/20 0.49
MEN1 O00255 1/20 0.49
MAPK1 P28482 1/20 0.49
RECQL P46063 1/20 0.49
GFER P55789 1/20 0.49
AKR1C3 P42330 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46

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
SCHEMBL31496393 1.00 CNR2 (0.51) CNR2ALDH1A1GAAKDM4EGLA
SCHEMBL27356901 0.91 ALDH1A1 (0.55) CNR2ALDH1A1GAAKDM4EGLA
SCHEMBL25404974 0.88 CNR2 (0.46) CNR2ALDH1A1GAAKDM4EGLA
SCHEMBL222908 0.84 NR4A1 (0.60) ALDH1A1GAAKDM4EGLALMNA
Water SCHEMBL7769203 0.83 NR4A1 (0.58) ALDH1A1GAAKDM4EGLALMNA
Acridine SCHEMBL29774329 0.83 NR4A1 (0.58) ALDH1A1GAAKDM4EGLALMNA
SCHEMBL8850857 0.83 NR4A1 (0.58) ALDH1A1GAAKDM4EGLALMNA
SCHEMBL5352931 0.83 ALDH1A1 (0.53) ALDH1A1GAAKDM4EGLALMNA
Acridine SCHEMBL31147690 0.83 NR4A1 (0.58) ALDH1A1GAAKDM4EGLALMNA
Hydrochloric Acid SCHEMBL9083721 0.83 NR4A1 (0.58) ALDH1A1GAAKDM4EGLALMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0062561-B1 DOSIMETER FOR THE MEASUREMENT OF ALPHA, GAMMA, X RAYS AND FAST NEUTRON DOSES, ESPECIALLY FOR LARGE DOSES MEASUREMENT Commissariat à l'Energie Atomique (FR) 1985-02-06 EP disclosed
EP-0062561-A1 Dosimeter for the measurement of alpha, gamma, X rays and fast neutron doses, especially for large doses measurement Commissariat à l'Energie Atomique (FR) 1982-10-13 EP disclosed