SCHEMBL11540343

SCHEMBL11540343

O=C1NCOCN1c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
MAPT P10636 2/20 0.42
GAA P10253 2/20 0.42
KDM4E B2RXH2 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
DDB1 Q16531 1/20 0.42
CRBN Q96SW2 1/20 0.42
ALDH1A1 P00352 3/20 0.38
POLB P06746 2/20 0.38
MGLL Q99685 1/20 0.38
USP2 O75604 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALOX5 P09917 2/20 0.37
GSK3A P49840 2/20 0.36
GSK3B P49841 2/20 0.36
SIGMAR1 Q99720 1/20 0.36

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
SCHEMBL5963879 0.72 NPC1 (0.48) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL146714 0.69 NPC1 (0.56) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL11118781 0.69 MEN1 (0.45) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL6360701 0.69 NPC1 (0.45) MEN1KMT2ANPC1RAB9AMAPT
Naphthalene SCHEMBL10492081 0.68 NPC1 (0.48) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL19901335 0.68 NPC1 (0.44) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL6782075 0.68 NPC1 (0.44) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL9871349 0.67 ATM (0.51) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL3362762 0.67 NPC1 (0.52) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL2299228 0.67 NPC1 (0.52) MEN1KMT2ANPC1RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4155747-A PREEMERGENCE EFFECTIVENESS IN CROPS OF WHEAT, CORN, RICE, COTTON, SOY BEANS, AND PEANUTS PHILAGRO (FR) 1979-05-22 US disclosed