SCHEMBL18098043

SCHEMBL18098043

CN(C)c1ccc(Oc2ccc(N3CN(c4ccc(Oc5ccc(N(C)C)cc5)cc4)CN(c4ccc(Oc5ccc(N6C(=O)c7c(Br)c(Br)c(Br)c(Br)c7C6=O)cc5)cc4)C3)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 4/20 0.42
CA2 P00918 3/20 0.41
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA7 P43166 2/20 0.41
ALDH1A1 P00352 6/20 0.37
MAPT P10636 6/20 0.37
GAA P10253 3/20 0.37
KDM4E B2RXH2 2/20 0.37
MAPK1 P28482 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
MEN1 O00255 1/20 0.37
RECQL P46063 1/20 0.37
KMT2A Q03164 1/20 0.37
HTT P42858 3/20 0.35
TDP1 Q9NUW8 3/20 0.35
LMNA P02545 3/20 0.35
THRB P10828 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HSD17B3 P37058 1/20 0.35

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
SCHEMBL18098168 0.83 CA9 (0.47) CA9CA2CA12CA1CA7
SCHEMBL4376931 0.81 CA9 (0.57) CA9CA2CA12CA1CA7
SCHEMBL18068758 0.81 ALDH1A1 (0.42) ALDH1A1MAPTGAAKDM4EMAPK1
SCHEMBL3676125 0.71 CA9 (0.69) CA9CA2CA12CA1CA7
SCHEMBL16633168 0.71 ALDH1A1 (0.55) ALDH1A1MAPTGAAKDM4EMAPK1
SCHEMBL12172936 0.66 CA9 (0.60) CA9CA2CA12CA1CA7
SCHEMBL19213224 0.66 ALDH1A1 (0.44) ALDH1A1MAPTGAAKDM4EMAPK1
SCHEMBL3946527 0.65 ALDH1A1 (0.65) ALDH1A1MAPTKDM4EMAPK1MEN1
SCHEMBL13018335 0.65 ALDH1A1 (0.65) ALDH1A1MAPTKDM4EMAPK1MEN1
SCHEMBL13018337 0.65 ALDH1A1 (0.65) ALDH1A1MAPTKDM4EMAPK1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10035882-B2 Flame retardant PHT compositions INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2018-07-31 US disclosed
US-20160362520-A1 FLAME RETARDANT PHT COMPOSITIONS INTERNATIONAL BUSINESS MACHINES CORPORATION 2016-12-15 US disclosed
US-9453108-B2 Flame retardant PHT compositions INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2016-09-27 US disclosed