SCHEMBL15845487

SCHEMBL15845487

O=[N+]([O-])c1ccccc1-c1ccc2c(ccn2-c2ccccc2)c1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ HSD11B1 P28845 1/20 0.39
▸ FGFR1 P11362 1/20 0.39
▸ MAPT P10636 4/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ NPSR1 Q6W5P4 2/20 0.36
▸ TLR9 Q9NR96 2/20 0.36
▸ XBP1 P17861 1/20 0.36
▸ PAX8 Q06710 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ CFTR P13569 1/20 0.35
▸ MITF O75030 1/20 0.34
▸ AGTR1 P30556 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ GUSB P08236 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ F2 P00734 1/20 0.34

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
SCHEMBL15568528 0.84 TDP1 (0.46) ALDH1A1TDP1FGFR1MAPTCFTR
SCHEMBL15845440 0.81 HSD11B1 (0.41) ALDH1A1TDP1HSD11B1FGFR1MAPT
SCHEMBL15845434 0.80 CFTR (0.43) ALDH1A1TDP1MAPTNPC1NPSR1
SCHEMBL15845501 0.80 ALDH1A1 (0.42) ALDH1A1TDP1HSD11B1FGFR1MAPT
SCHEMBL15845480 0.80 ALDH1A1 (0.42) ALDH1A1TDP1HSD11B1FGFR1MAPT
SCHEMBL15845446 0.80 ALDH1A1 (0.42) ALDH1A1TDP1HSD11B1FGFR1MAPT
SCHEMBL15845453 0.78 ALDH1A1 (0.47) ALDH1A1TDP1HSD11B1FGFR1MAPT
SCHEMBL15801580 0.77 ALDH1A1 (0.46) ALDH1A1TDP1FGFR1MAPTLMNA
SCHEMBL15845502 0.76 HSD11B1 (0.44) ALDH1A1TDP1HSD11B1FGFR1MAPT
SCHEMBL15845441 0.76 HSD11B1 (0.44) ALDH1A1TDP1HSD11B1FGFR1MAPT

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-2014104664-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME 주식회사 두산 (KR) 2014-07-03 — — WO disclosed
WO-2014104664-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME 주식회사 두산 (KR) 2014-07-03 — — WO disclosed
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