SCHEMBL13620238

SCHEMBL13620238

O=c1c(Br)c(Br)cnn1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.55
ALDH1A1 P00352 9/20 0.55
NPC1 O15118 8/20 0.55
MAPT P10636 8/20 0.55
SMN1; SMN2 Q16637 8/20 0.55
S1PR4 O95977 4/20 0.55
S1PR1 P21453 4/20 0.55
MITF O75030 2/20 0.55
HTT P42858 6/20 0.50
NPSR1 Q6W5P4 6/20 0.50
XBP1 P17861 4/20 0.50
RXFP1 Q9HBX9 2/20 0.50
LMNA P02545 5/20 0.48
PAX8 Q06710 2/20 0.48
GAA P10253 1/20 0.45
HPGD P15428 3/20 0.39
PPARG P37231 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
NCOA2 Q15596 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
SCHEMBL4292263 0.77 NPC1 (0.50) RAB9AALDH1A1NPC1MAPTSMN1; SMN2
SCHEMBL14385181 0.75 RAB9A (0.55) RAB9AALDH1A1NPC1MAPTSMN1; SMN2
SCHEMBL9233774 0.72 SMN1; SMN2 (0.50) RAB9AALDH1A1NPC1MAPTSMN1; SMN2
SCHEMBL9726416 0.72 ALDH1A1 (0.46) RAB9AALDH1A1NPC1MAPTSMN1; SMN2
SCHEMBL2887406 0.67 RAB9A (0.71) RAB9AALDH1A1NPC1MAPTSMN1; SMN2
SCHEMBL2896401 0.66 ALDH1A1 (0.66) RAB9AALDH1A1NPC1MAPTSMN1; SMN2
SCHEMBL4743412 0.66 RAB9A (1.00) RAB9AALDH1A1NPC1MAPTSMN1; SMN2
SCHEMBL4183392 0.65 NPC1 (0.54) RAB9AALDH1A1NPC1MAPTSMN1; SMN2
SCHEMBL1751460 0.65 RAB9A (0.62) RAB9AALDH1A1NPC1MAPTSMN1; SMN2
SCHEMBL9377180 0.64 NPC1 (0.56) RAB9AALDH1A1NPC1MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2123264-A1 Heterocyclic derivatives as abnormal cannabidiols agents for lowering intraocular pressure Allergan, Inc. (US) 2009-11-25 EP disclosed
WO-2007127711-A2 ABNORMAL CANNABIDIOLS AS AGENTS FOR LOWERING INTRAOCULAR PRESSURE ALLERGAN, INC. (US) 2007-11-08 WO disclosed