SCHEMBL11295096

SCHEMBL11295096

COC(CN(C)C(=O)Nc1nnc(C(C)Oc2cccc(Cl)c2)s1)OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 5/20 0.43
▸ RAB9A P51151 5/20 0.43
▸ ALDH1A1 P00352 4/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ G6PD P11413 1/20 0.43
▸ POLB P06746 2/20 0.40
▸ KMT2A Q03164 3/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ MEN1 O00255 2/20 0.38
▸ MIF P14174 1/20 0.38
▸ OGG1 O15527 1/20 0.38
▸ LMNA P02545 5/20 0.37
▸ GAA P10253 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ MAPT P10636 2/20 0.36
▸ GLA P06280 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ GLS O94925 1/20 0.36
▸ HPN P05981 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35

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
SCHEMBL11361043 0.91 ALDH1A1 (0.36) NPC1RAB9AALDH1A1SMN1; SMN2G6PD
SCHEMBL11293133 0.89 ALDH1A1 (0.44) NPC1RAB9AALDH1A1SMN1; SMN2G6PD
SCHEMBL11393669 0.89 MAPT (0.40) NPC1RAB9AALDH1A1SMN1; SMN2G6PD
SCHEMBL11398951 0.89 ALDH1A1 (0.46) NPC1RAB9AALDH1A1SMN1; SMN2G6PD
SCHEMBL11356315 0.87 SMN1; SMN2 (0.42) NPC1RAB9AALDH1A1SMN1; SMN2G6PD
SCHEMBL11355272 0.86 SMN1; SMN2 (0.41) ALDH1A1SMN1; SMN2KMT2AL3MBTL1MEN1
SCHEMBL11294057 0.84 KMT2A (0.41) NPC1RAB9AALDH1A1SMN1; SMN2G6PD
SCHEMBL11296286 0.83 NPC1 (0.42) NPC1RAB9AALDH1A1SMN1; SMN2G6PD
SCHEMBL11214313 0.82 SMN1; SMN2 (0.41) NPC1RAB9AALDH1A1SMN1; SMN2G6PD
SCHEMBL11293028 0.80 NPC1 (0.43) NPC1RAB9AALDH1A1SMN1; SMN2POLB

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-4269983-A PRE- AND POSTEMERGENCE HERBICIDES PPG INDUSTRIES, INC. (US) 1981-05-26 — — US disclosed
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