SCHEMBL6833487

SCHEMBL6833487

C=Cc1ccc(Cn2c(C)nc3ccccc32)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNF P01375 2/20 0.70
▸ GALR3 O60755 3/20 0.69
▸ NR2F2 P24468 3/20 0.69
▸ RAB9A P51151 3/20 0.69
▸ HDAC1 Q13547 1/20 0.57
▸ HDAC6 Q9UBN7 1/20 0.57
▸ NPC1 O15118 1/20 0.55
▸ TP53 P04637 2/20 0.51
▸ LMNA P02545 2/20 0.49
▸ HTT P42858 2/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ MAPT P10636 2/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ PDE6D O43924 1/20 0.49
▸ ALDH2 P05091 1/20 0.49
▸ ALDH3A1 P30838 1/20 0.49
▸ PTAFR P25105 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.48

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
SCHEMBL3969688 0.86 TNF (0.70) TNFGALR3NR2F2RAB9AHDAC1
SCHEMBL15081197 0.83 ALDH1A1 (0.74) TNFRAB9ATP53LMNAHTT
SCHEMBL6833621 0.83 TNF (0.81) TNFGALR3NR2F2RAB9AHDAC1
SCHEMBL231295 0.83 TNF (1.00) TNFGALR3NR2F2RAB9AHDAC1
Chlormidazole SCHEMBL148113 0.82 GALR3 (1.00) TNFGALR3NR2F2RAB9AHDAC1
Chlormidazole SCHEMBL30402878 0.82 GALR3 (1.00) TNFGALR3NR2F2RAB9AHDAC1
SCHEMBL9260111 0.81 TNF (0.77) TNFGALR3NR2F2RAB9AHDAC1
SCHEMBL3974900 0.81 TNF (0.77) TNFGALR3NR2F2RAB9AHDAC1
SCHEMBL12771519 0.81 GALR3 (1.00) TNFGALR3NR2F2RAB9AHDAC1
SCHEMBL8320197 0.81 TNF (0.77) TNFGALR3NR2F2RAB9AHDAC1

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-6749977-B1 PROVIDE GOOD DYE-FORMING ACTIVITY AND WHICH, AT THE SAME TIME, YIELD LITTLE OR NO INCREASED FOG AND/ OR PROVIDE LITTLE OR NO DECREASE IN DMAX AFTER STORAGE EASTMAN KODAK COMPANY 2004-06-15 — — US disclosed
Send feedback