SCHEMBL11660879

SCHEMBL11660879

C#CCNC(=O)Sc1ccc(OCC)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ POLB P06746 2/20 0.43
▸ LMNA P02545 2/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ PLK1 P53350 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ PARP10 Q53GL7 1/20 0.41
▸ HPGD P15428 2/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.41
▸ NQO1 P15559 1/20 0.41
▸ MAPT P10636 4/20 0.41
▸ ACACB O00763 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ GAA P10253 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
SCHEMBL11657741 0.85 RAB9A (0.54) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL11663301 0.83 HTT (0.45) NPC1RAB9APOLBLMNAKMT2A
SCHEMBL11657441 0.81 SMN1; SMN2 (0.38) NPC1RAB9ALMNAALDH1A1HPGD
SCHEMBL11658712 0.80 ACHE (0.41) NPC1RAB9ALMNAMEN1KMT2A
SCHEMBL11658257 0.80 NPC1 (0.50) NPC1RAB9APOLBLMNAKMT2A
SCHEMBL11661469 0.79 MAPT (0.41) NPC1RAB9APOLBLMNAMEN1
SCHEMBL11663688 0.78 MAPT (0.45) NPC1RAB9ALMNAMEN1KMT2A
SCHEMBL11661014 0.78 PYCR1 (0.42) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL11661228 0.76 SMN1; SMN2 (0.44) NPC1RAB9ALMNAMEN1KMT2A
SCHEMBL11663119 0.73 RAB9A (0.52) NPC1RAB9ALMNAMEN1KMT2A

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-4075006-A PESTICIDES, NEMATOCIDES, FUNGICIDES PPG INDUSTRIES, INC. (US) 1978-02-21 — — US disclosed
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