SCHEMBL11963403

SCHEMBL11963403

Nc1n[nH]c2cc(OCc3ccccc3)ccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKE Q14164 1/20 0.54
CTSV O60911 1/20 0.53
CTSL P07711 1/20 0.53
JAK2 O60674 1/20 0.53
IMPDH2 P12268 1/20 0.51
MAOA P21397 2/20 0.51
FLT3 P36888 1/20 0.51
MAOB P27338 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MAPT P10636 2/20 0.50
TTK P33981 1/20 0.50
GAA P10253 1/20 0.50
RAB9A P51151 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
NSD2 O96028 1/20 0.49
AS3MT Q9HBK9 1/20 0.49
ALOX5 P09917 1/20 0.49
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
MDH2 P40926 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
SCHEMBL6479759 0.89 JAK2 (0.67) IKBKEJAK2MAOAMAOBSMN1; SMN2
SCHEMBL627903 0.88 TTK (0.59) IKBKECTSVCTSLJAK2MAOA
SCHEMBL13736995 0.88 FLT3 (0.55) JAK2FLT3
SCHEMBL6479373 0.87 JAK2 (0.63) IKBKEJAK2MAOBTTKGSK3B
SCHEMBL18640073 0.86 IKBKE (0.43) IKBKECTSVCTSLJAK2MAOA
SCHEMBL216014 0.86 CNR2 (0.54) IKBKEJAK2MAOBRAB9A
SCHEMBL18639944 0.86 MAOB (0.47) IKBKEJAK2MAOAFLT3MAOB
SCHEMBL18639883 0.86 MAOB (0.49) JAK2MAOAMAOBHPGD
SCHEMBL18640103 0.85 MAOB (0.55) MAOAMAOB
SCHEMBL6479517 0.84 JAK2 (0.50) IKBKEJAK2MAPTTTKPRMT5

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
WO-2017045751-A1 COMPOUNDS AS ASIC INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2017-03-23 WO disclosed
EP-2489663-A1 Compounds as syk kinase inhibitors Almirall, S.A. (ES) 2012-08-22 EP disclosed