SCHEMBL8330737

SCHEMBL8330737

COc1cccc2nc3ccccc3c(C(=S)Oc3ccc(F)cc3)c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
NPC1 O15118 2/20 0.40
CDK9 P50750 1/20 0.40
DYRK1A Q13627 1/20 0.40
ABCG2 Q9UNQ0 2/20 0.39
POLB P06746 3/20 0.39
MAPT P10636 5/20 0.38
TOP2A P11388 1/20 0.38
TOP2B Q02880 1/20 0.38
RAB9A P51151 1/20 0.38
ALDH1A1 P00352 5/20 0.38
KDM4E B2RXH2 5/20 0.38
TDP1 Q9NUW8 3/20 0.38
LMNA P02545 3/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL7030411 0.85 SCN9A (0.43) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL7756508 0.82 KMT2A (0.46) MEN1KMT2ANPC1DYRK1AABCG2
SCHEMBL8686158 0.80 MAPT (0.40) MEN1KMT2ANPC1ABCG2POLB
SCHEMBL7027183 0.79 POLB (0.51) MEN1KMT2ANPC1POLBMAPT
SCHEMBL8333201 0.76 POLB (0.52) NPC1CDK9DYRK1APOLBMAPT
SCHEMBL7756511 0.74 KDM4E (0.48) MEN1KMT2ANPC1ABCG2POLB
SCHEMBL8333267 0.71 RAB9A (0.41) MEN1KMT2ANPC1CDK9DYRK1A
SCHEMBL7797045 0.71 MAPT (0.48) MEN1KMT2ANPC1POLBMAPT
SCHEMBL6931307 0.71 MAPT (0.43) MEN1KMT2ANPC1MAPTRAB9A
SCHEMBL7757071 0.70 ESR1 (0.41) MEN1KMT2AABCG2MAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0778946-A4 NOVEL METHOD AND KITS FOR PRODUCING LIGHT FROM AN ACRIDAN COMPOUND LUMIGEN INC (US) 1999-01-27 EP disclosed
CN-1161083-A Novel method and kits for producing light from 9,10-azetine compound LUMIGEN INC (US) 1997-10-01 CN disclosed
EP-0778946-A1 NOVEL METHOD AND KITS FOR PRODUCING LIGHT FROM AN ACRIDAN COMPOUND LUMIGEN, INC. (US) 1997-06-18 EP disclosed
WO-1996007912-A1 NOVEL METHOD AND KITS FOR PRODUCING LIGHT FROM AN ACRIDAN COMPOUND LUMIGEN, INC. (US) 1996-03-14 WO disclosed