SCHEMBL6770347

SCHEMBL6770347

CC(C)(C)c1ccc(CNc2ccc3sc4ccccc4c3c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.54
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
HDAC1 Q13547 2/20 0.41
MAPT P10636 1/20 0.40
DHODH Q02127 1/20 0.40
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
FSHR P23945 1/20 0.39
PTGIR P43119 1/20 0.39
LMNA P02545 1/20 0.39
RAB9A P51151 1/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
PRSS12 P56730 1/20 0.39
MAOB P27338 1/20 0.38
PTPN7 P35236 1/20 0.38
DUSP3 P51452 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
SCHEMBL6768403 0.84 HDAC1 (0.50) HDAC1MAPTDHODHPTGIRPRSS12
SCHEMBL23118205 0.82 PTGIR (0.49) MAPTDHODHPTGIRPRSS12PTPN7
SCHEMBL6529991 0.82 NPC1 (0.55) CA1CA2MAPTMEN1POLB
SCHEMBL12060917 0.80 GPR3 (0.54) MAPTDHODHPTGIRRAB9APTPN7
SCHEMBL6490182 0.79 KIF11 (0.64) TRPV1CA1CA2HDAC1KMT2A
SCHEMBL6526964 0.78 INSR (0.52) HDAC1MAPTMEN1POLBGAA
SCHEMBL6484020 0.76 CA1 (0.45) TRPV1CA1CA2MAPTMEN1
SCHEMBL6769890 0.76 NPC1 (0.49) HDAC1MAPTDHODHMEN1POLB
SCHEMBL6690731 0.75 CA1 (0.54) TRPV1CA1CA2MEN1KMT2A
SCHEMBL5184746 0.74 CA1 (0.70) TRPV1CA1CA2MAPTMEN1

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-6800656-B2 Tricyclic compounds and method of treating herpes virus WARNER LAMBERT COMPANY 2004-10-05 US claimed