SCHEMBL10481920

SCHEMBL10481920

O=P(S)(c1cccc2ccccc12)c1cccc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
LMNA P02545 2/20 0.46
POLB P06746 1/20 0.46
ACP3 P15309 1/20 0.42
ALDH1A1 P00352 4/20 0.42
CYP2A6 P11509 3/20 0.42
TSHR P16473 2/20 0.42
HSD17B10 Q99714 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
PTK2B Q14289 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MMP3 P08254 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
CYP1A2 P05177 3/20 0.39
HPGD P15428 2/20 0.39
CYP3A4 P08684 2/20 0.39
KEAP1 Q14145 1/20 0.39
CA2 P00918 2/20 0.39
CA12 O43570 1/20 0.39
MMP2 P08253 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
SCHEMBL29380351 0.81 KDM4E (0.53) KDM4ELMNAPOLBACP3ALDH1A1
SCHEMBL1244976 0.81 KDM4E (0.53) KDM4ELMNAPOLBACP3ALDH1A1
SCHEMBL14339297 0.77 KDM4E (0.50) KDM4ELMNAPOLBACP3ALDH1A1
SCHEMBL14339282 0.77 KDM4E (0.50) KDM4ELMNAPOLBACP3ALDH1A1
SCHEMBL31742347 0.77 ACP3 (0.52) KDM4ELMNAPOLBACP3ALDH1A1
SCHEMBL14245270 0.77 KDM4E (0.46) KDM4ELMNAPOLBACP3ALDH1A1
SCHEMBL19743195 0.77 KDM4E (0.46) KDM4ELMNAPOLBACP3ALDH1A1
SCHEMBL339616 0.77 ACP3 (0.52) KDM4ELMNAPOLBACP3ALDH1A1
SCHEMBL81300 0.77 ACP3 (0.52) KDM4ELMNAPOLBACP3ALDH1A1
SCHEMBL4215817 0.77 KDM4E (0.46) KDM4ELMNAPOLBACP3ALDH1A1

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
EP-0333754-A1 EXPLOSIVE COMPOSITIONS. LUBRIZOL CORP (US) 1989-09-27 EP disclosed
US-4840687-A OXIDIZER, REACTION PRODUCT OF A CARBOXYLIC ACLATING AGENT, A POLYAMINE AND AN ACID OR ACID-PRODUCING COMPOUND THE LUBRIZOL CORPORATION (US) 1989-06-20 US disclosed
WO-1988003522-A1 EXPLOSIVE COMPOSITIONS THE LUBRIZOL CORPORATION (US) 1988-05-19 WO disclosed