SCHEMBL21180540

SCHEMBL21180540

c1ccc2c(c1)oc1cc3c(cc(-c4csc5ccccc45)c4cccnc43)cc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.39
NPC1 O15118 2/20 0.39
PDE4D Q08499 4/20 0.35
AHR P35869 2/20 0.34
ACVRL1 P37023 1/20 0.33
ACVR1 Q04771 1/20 0.33
CYP19A1 P11511 1/20 0.32
MEN1 O00255 4/20 0.32
KMT2A Q03164 4/20 0.32
KDM4E B2RXH2 5/20 0.32
ALDH1A1 P00352 5/20 0.32
HPGD P15428 4/20 0.32
RAB9A P51151 2/20 0.32
GAA P10253 2/20 0.32
HSD17B10 Q99714 2/20 0.32
ALOX15 P16050 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
CDC7 O00311 1/20 0.31
PRKDC P78527 1/20 0.31
ECE1 P42892 1/20 0.31

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
SCHEMBL14725728 0.83 AHR (0.39) MAPTNPC1AHRMEN1KMT2A
SCHEMBL21180556 0.82 MAP3K7 (0.36) MAPTNPC1AHRMEN1KMT2A
SCHEMBL21180672 0.81 ALDH1A1 (0.35) MAPTACVRL1ACVR1MEN1KMT2A
SCHEMBL16472840 0.81 AHR (0.39) MAPTNPC1AHRMEN1KMT2A
SCHEMBL16472880 0.76 MAOA (0.34) MAPTNPC1AHRMEN1KMT2A
SCHEMBL16472940 0.76 AHR (0.35) MAPTNPC1AHRMEN1KMT2A
SCHEMBL16472836 0.76 AHR (0.35) MAPTNPC1AHRMEN1KMT2A
SCHEMBL16472694 0.76 PTPN1 (0.34) MAPTNPC1AHRMEN1KMT2A
SCHEMBL15460241 0.75 AHR (0.41) MAPTNPC1AHRMEN1KMT2A
SCHEMBL14725655 0.75 PRKDC (0.35) MAPTNPC1AHRMEN1KMT2A

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-10361380-B2 Heterocyclic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2019-07-23 US disclosed