SCHEMBL13374001

SCHEMBL13374001

CC=CNc1ccc(OC)c(CC)c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 9/20 0.43
▸ RAB9A P51151 6/20 0.43
▸ NPC1 O15118 5/20 0.43
▸ GAA P10253 3/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ KDM4E B2RXH2 4/20 0.41
▸ TAAR1 Q96RJ0 2/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ STAT1 P42224 1/20 0.40
▸ POLB P06746 2/20 0.39
▸ LMNA P02545 1/20 0.38
▸ HTR6 P50406 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38

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
SCHEMBL13373997 0.85 NPC1 (0.40) MAPTRAB9ANPC1GAAKDM4E
SCHEMBL12903035 0.80 MAPT (0.55) MAPTRAB9ANPC1GAASMN1; SMN2
SCHEMBL13373996 0.80 DHFR (0.35) MAPTRAB9ANPC1GAASMN1; SMN2
SCHEMBL13373998 0.77 MAPT (0.46) MAPTRAB9ANPC1GAASMN1; SMN2
Hydrochloric Acid SCHEMBL4079309 0.76 TAAR1 (0.44) MAPTGAAKDM4ETAAR1ALDH1A1
SCHEMBL5952426 0.73 ALDH1A1 (0.59) MAPTSMN1; SMN2KDM4EALDH1A1MEN1
SCHEMBL20433967 0.71 LMNA (0.39) MAPTGAASMN1; SMN2ALDH1A1MEN1
SCHEMBL13180237 0.71 KMT2A (0.50) MAPTRAB9ANPC1GAASMN1; SMN2
SCHEMBL3003760 0.71 MAPT (0.57) MAPTGAAKDM4ETAAR1ALDH1A1
SCHEMBL24021272 0.70 ALDH1A1 (0.49) TAAR1ALDH1A1CYP3A4

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
Send feedback