SCHEMBL11398951

SCHEMBL11398951

COC(CN(C)C(=O)Nc1nnc(C(C)Oc2ccccc2)s1)OC

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.46
▸ KMT2A Q03164 5/20 0.46
▸ MEN1 O00255 4/20 0.46
▸ POLB P06746 1/20 0.46
▸ MIF P14174 1/20 0.46
▸ RAB9A P51151 6/20 0.42
▸ NPC1 O15118 5/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ G6PD P11413 1/20 0.42
▸ GLS O94925 1/20 0.42
▸ HTT P42858 2/20 0.41
▸ MAPT P10636 3/20 0.41
▸ LMNA P02545 2/20 0.40
▸ TSHR P16473 2/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ GLA P06280 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
SCHEMBL11294057 0.91 KMT2A (0.41) ALDH1A1KMT2AMEN1POLBMIF
SCHEMBL11293133 0.90 ALDH1A1 (0.44) ALDH1A1KMT2AMEN1POLBMIF
SCHEMBL11403264 0.90 ALDH1A1 (0.49) ALDH1A1KMT2AMEN1POLBMIF
SCHEMBL11393669 0.90 MAPT (0.40) ALDH1A1KMT2AMEN1RAB9ANPC1
SCHEMBL11295096 0.89 NPC1 (0.43) ALDH1A1KMT2AMEN1POLBMIF
SCHEMBL11293028 0.87 NPC1 (0.43) ALDH1A1KMT2AMEN1POLBMIF
SCHEMBL11214313 0.86 SMN1; SMN2 (0.41) ALDH1A1KMT2AMEN1RAB9ANPC1
SCHEMBL11356315 0.86 SMN1; SMN2 (0.42) ALDH1A1KMT2AMEN1POLBMIF
SCHEMBL11296286 0.86 NPC1 (0.42) ALDH1A1KMT2AMEN1POLBMIF
SCHEMBL11361043 0.85 ALDH1A1 (0.36) ALDH1A1KMT2AMEN1POLBMIF

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-4233057-A 3-[5-(1-Phenoxy-alkyl, -alkynyl, -alkenyl, or haloalkyl)-1,3,4-thiadiazol-2-yl]-4-hydroxy-1-methyl-2-imidazolidinones PPG INDUSTRIES, INC. (US) 1980-11-11 — — US disclosed
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