SCHEMBL7170099

SCHEMBL7170099

Cc1cc(Br)c2nc(-c3cccc(C(F)(F)F)c3)oc(=O)c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 2/20 0.45
▸ RAB9A P51151 4/20 0.43
▸ HTT P42858 3/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ MAPT P10636 3/20 0.43
▸ LMNA P02545 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ KDM4E B2RXH2 4/20 0.42
▸ NPC1 O15118 2/20 0.41
▸ F7 P08709 1/20 0.41
▸ F3 P13726 1/20 0.41
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ PGR P06401 1/20 0.39

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
SCHEMBL25360224 0.83 RAB9A (0.52) RAB9AALDH1A1MAPTLMNAKDM4E
SCHEMBL9980861 0.83 NOTUM (0.46) NOTUMRAB9AHTTALDH1A1MAPT
SCHEMBL7192842 0.77 NOTUM (0.45) NOTUMRAB9AHTTALDH1A1MAPT
SCHEMBL7193264 0.77 NOTUM (0.47) NOTUMRAB9AHTTALDH1A1MAPT
SCHEMBL914428 0.76 HPGD (0.53) NOTUMRAB9AALDH1A1MAPTTDP1
SCHEMBL12048166 0.74 NOTUM (0.47) NOTUMRAB9AHTTALDH1A1MAPT
SCHEMBL12049141 0.74 NOTUM (0.47) NOTUMRAB9AHTTALDH1A1MAPT
SCHEMBL465889 0.74 NOTUM (0.47) NOTUMRAB9AALDH1A1MAPTLMNA
SCHEMBL10344443 0.74 ELANE (0.66) NOTUMRAB9AALDH1A1MAPTLMNA
SCHEMBL465868 0.74 MEN1 (0.50) NOTUMRAB9AMAPTLMNANPC1

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
WO-2003007955-A2 BIPHENYL APURINIC/APYRIMIDINIC SITE ENDONUCLEASE INHIBITORS TO TREAT CANCER CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2003-01-30 — — WO claimed
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