SCHEMBL12392129

SCHEMBL12392129

CC(N)c1ccc(OCc2ccccc2)cn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P4HTM Q9NXG6 1/20 0.51
▸ MAOB P27338 3/20 0.49
▸ GAA P10253 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ MAOA P21397 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ LTA4H P09960 4/20 0.48
▸ LMNA P02545 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ PTGS1 P23219 1/20 0.46
▸ SLC6A2 P23975 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ PTGS2 P35354 1/20 0.46
▸ SLC6A3 Q01959 1/20 0.46
▸ HIF1A Q16665 1/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.46
▸ ALOX5 P09917 2/20 0.44
▸ ACACB O00763 2/20 0.43

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
SCHEMBL10253764 1.00 P4HTM (0.51) P4HTMMAOBGAAMAPTMAOA
Hydrochloric Acid SCHEMBL2140034 0.98 P4HTM (0.50) P4HTMMAOBGAAMAPTMAOA
SCHEMBL28891534 0.86 P4HTM (0.56) P4HTMMAOBGAAMAPTMAOA
SCHEMBL28891537 0.86 P4HTM (0.56) P4HTMMAOBGAAMAPTMAOA
SCHEMBL21920504 0.85 NPC1 (0.51) MAOBMAOARAB9ALTA4H
SCHEMBL27648494 0.81 P4HTM (0.58) P4HTMMAOBL3MBTL1LTA4HLMNA
SCHEMBL17246824 0.81 PARP10 (0.49) MAOBMAOASMN1; SMN2CYP1A2
SCHEMBL27648495 0.81 P4HTM (0.51) P4HTMMAOBMAOARAB9AL3MBTL1
SCHEMBL10253710 0.80 MAOB (0.51) MAOBRAB9ASMN1; SMN2
SCHEMBL19127252 0.79 LTA4H (0.56) P4HTMMAOBRAB9ASMN1; SMN2LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8008487-B2 Substituted thieno[2,3-D]pyrimidines as fungicides DOW AGROSCIENCES LLC (US) 2011-08-30 — — US disclosed
US-8008487-B2 Substituted thieno[2,3-D]pyrimidines as fungicides DOW AGROSCIENCES LLC (US) 2011-08-30 — — US disclosed
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