SCHEMBL18154590

SCHEMBL18154590

COc1ccc(COc2ccnc(O)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
APP P05067 6/20 0.51
NPC1 O15118 4/20 0.50
RAB9A P51151 4/20 0.50
MAOB P27338 4/20 0.50
POLB P06746 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TDP1 Q9NUW8 1/20 0.49
SMPD1 P17405 1/20 0.48
FFAR1 O14842 1/20 0.48
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47

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
SCHEMBL29769046 0.81 CYP1A2 (0.56) RAB9AMAOBALDH1A1MAPT
SCHEMBL351009 0.81 CYP1A2 (0.56) RAB9AMAOBALDH1A1MAPT
SCHEMBL31658841 0.81 MAOB (0.54) APPNPC1RAB9AMAOBPOLB
SCHEMBL26099232 0.81 APP (0.51) APPNPC1RAB9AMAOBPOLB
SCHEMBL16012226 0.81 MAOB (0.54) APPNPC1RAB9AMAOBPOLB
SCHEMBL30615152 0.80
SCHEMBL2312335 0.80
SCHEMBL4306905 0.78 APP (0.49) APPNPC1RAB9AMAOBPOLB
SCHEMBL28366776 0.78 APP (0.65) APPNPC1RAB9AMAOBPOLB
SCHEMBL26098902 0.77 NPC1 (0.49) APPNPC1RAB9AMAOBPOLB

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-3286193-A1 INDOLE DERIVATIVES Richter Gedeon Nyrt. (HU) 2018-02-28 EP disclosed
WO-2016166684-A1 INDOLE DERIVATIVES RICHTER GEDEON NYRT. (HU) 2016-10-20 WO disclosed