SCHEMBL27363589

SCHEMBL27363589

CNC1(NC)CC(NC)(c2ccc(O)c(Br)c2)c2ccccc2O1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DHFR P00374 4/20 0.37
TYMS P04818 1/20 0.37
AKR1C1 Q04828 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HSP90AA1 P07900 1/20 0.30

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
SCHEMBL27455755 0.88 ALOX15 (0.37) DHFRTYMSOPRM1OPRD1
SCHEMBL27281269 0.82 MEN1 (0.36) TYMSMEN1LMNAMAPTKMT2A
SCHEMBL27352373 0.76 DHFR (0.37) DHFRTYMSAKR1C1OPRM1OPRD1
SCHEMBL7751772 0.73 DHFR (0.40) DHFRTYMSAKR1C1OPRM1OPRD1
SCHEMBL6911184 0.73 DHFR (0.40) DHFRTYMSAKR1C1OPRM1OPRD1
SCHEMBL27435440 0.67 CYP3A4 (0.36) AKR1C1TDP1
SCHEMBL6914734 0.64 FTO (0.41) DHFRTYMSAKR1C1OPRM1OPRD1
SCHEMBL6915372 0.64 BACE1 (0.41) DHFRTYMSOPRM1OPRD1LMNA
SCHEMBL2832176 0.61 ESR1 (0.65) DHFRTYMSAKR1C1OPRM1OPRD1
SCHEMBL29850929 0.61 ESR1 (0.65) DHFRTYMSAKR1C1OPRM1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1062001-C A polycarbonate resin composition GEN ELECTRIC (US) 2001-02-14 CN disclosed
CN-1141935-A Thermoplastic resin composition GEN ELECTRICS CORP (US) 1997-02-05 CN disclosed
CN-1122350-A A polycarbonate resin composition GEN ELECTRIC (US) 1996-05-15 CN disclosed
CN-1122349-A A glass fiber-reinforced polycarbonate resin composition GEN ELECTRIC (US) 1996-05-15 CN disclosed
CN-1114966-A Fire-resistent polycarbonate resin composition GEN ELECTRIC (US) 1996-01-17 CN disclosed