SCHEMBL13373998

SCHEMBL13373998

CC=CNc1ccc(OC)c(C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 11/20 0.46
▸ GAA P10253 5/20 0.46
▸ NPC1 O15118 4/20 0.46
▸ RAB9A P51151 3/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ ALDH1A1 P00352 6/20 0.41
▸ KDM4E B2RXH2 5/20 0.41
▸ MEN1 O00255 4/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ GLA P06280 1/20 0.41
▸ CASP1 P29466 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ LMNA P02545 3/20 0.40
▸ HTT P42858 3/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.39
▸ TSHR P16473 2/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ ALOX15 P16050 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
SCHEMBL12903035 0.85 MAPT (0.55) MAPTGAANPC1RAB9ASMN1; SMN2
SCHEMBL16620674 0.78 MAPT (0.46) MAPTGAANPC1RAB9ASMN1; SMN2
SCHEMBL13374001 0.77 MAPT (0.43) MAPTGAANPC1RAB9ASMN1; SMN2
SCHEMBL9290196 0.76 MAPT (0.45) MAPTGAANPC1SMN1; SMN2ALDH1A1
SCHEMBL27612556 0.75 MAPT (0.44) MAPTGAANPC1RAB9ASMN1; SMN2
SCHEMBL13532211 0.75 ALDH1A1 (0.44) MAPTGAANPC1SMN1; SMN2ALDH1A1
SCHEMBL13373999 0.73 RAB9A (0.51) MAPTGAANPC1RAB9ASMN1; SMN2
SCHEMBL13373995 0.73 RAB9A (0.56) MAPTGAANPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL3173764 0.73 ALDH1A1 (0.42) MAPTGAANPC1RAB9ASMN1; SMN2
SCHEMBL5680273 0.72 ALDH1A1 (0.53) MAPTGAANPC1RAB9ASMN1; SMN2

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-8288425-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2012-10-16 — — US disclosed
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