SCHEMBL18924676

SCHEMBL18924676

c1ccc2c(c1)oc1ccc(-c3ccncn3)cc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.46
▸ MAPT P10636 2/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ KDM4E B2RXH2 3/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ HPGD P15428 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ AHR P35869 2/20 0.40
▸ GRM5 P41594 1/20 0.40
▸ LMNA P02545 2/20 0.38
▸ CASP3 P42574 1/20 0.37
▸ SENP7 Q9BQF6 1/20 0.37
▸ SENP6 Q9GZR1 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ PDE5A O76074 1/20 0.37
▸ CYP2D6 P10635 2/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37

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
SCHEMBL19165885 0.84 PLA2G2A (0.37) NPC1MAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL19166007 0.84 PLA2G2A (0.37) NPC1MAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL19165838 0.83 MEN1 (0.38) NPC1MAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL19165331 0.83 MEN1 (0.38) NPC1MAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL17486247 0.83 NPC1 (0.53) NPC1MAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL21742760 0.82 GRM5 (0.39) NPC1MAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL18924677 0.81 MAPT (0.49) NPC1MAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL17426588 0.80 CYP2D6 (0.42) MAPTGRM5CYP2D6
SCHEMBL22376152 0.80 PLA2G2A (0.46) NPC1MAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL17756860 0.80 NPC1 (0.47) NPC1MAPTSMN1; SMN2KDM4EALDH1A1

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
US-9670241-B2 Organometallic compound and organic light-emitting device including the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2017-06-06 — — US disclosed
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