SCHEMBL8650356

SCHEMBL8650356

CNC(=O)C(=NOCF)c1ccccc1COc1cc(C)ccc1C

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MAPT P10636 1/20 0.39
POLB P06746 1/20 0.38
HIF1A Q16665 3/20 0.38
HTT P42858 2/20 0.38
LMNA P02545 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
TSHR P16473 1/20 0.37

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
SCHEMBL7067009 0.91 ALDH1A1 (0.42) ALDH1A1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL8519540 0.91 ALDH1A1 (0.42) ALDH1A1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL8650350 0.89 ALDH1A1 (0.41) ALDH1A1MAPTHIF1AHTTPTGDR2
SCHEMBL8647140 0.89 HIF1A (0.50) ALDH1A1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL54336 0.89 HIF1A (0.49) ALDH1A1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL22326129 0.89 HIF1A (0.49) ALDH1A1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL29673995 0.89 HIF1A (0.49) ALDH1A1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL31349879 0.89 HIF1A (0.49) ALDH1A1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL18420 0.89 HIF1A (0.49) ALDH1A1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL2866788 0.89 HIF1A (0.49) ALDH1A1MEN1KMT2ASMN1; SMN2NPC1

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
US-5710314-A FUNGICIDES OR INSECTICIDES OF AROMATIC ETHERS WITH ESTER GROUPS OR AMIDES NOVARTIS CORPORATION (US) 1998-01-20 US disclosed
EP-0784606-A1 MICROBICIDES Novartis AG (CH) 1997-07-23 EP disclosed
WO-1996010556-A1 MICROBICIDES NOVARTIS AG (CH) 1996-04-11 WO disclosed