SCHEMBL17841982

SCHEMBL17841982

O=[N+]([O-])c1ccccc1-c1ccc2c(ccc3c4ccccc4ccc23)c1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HPRT1 P00492 2/20 0.62
▸ ALDH1A1 P00352 5/20 0.53
▸ TDP1 Q9NUW8 3/20 0.53
▸ TSHR P16473 2/20 0.47
▸ CASP6 P55212 1/20 0.46
▸ CYP3A4 P08684 1/20 0.45
▸ HNF4A P41235 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ ADORA1 P30542 1/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ GUSB P08236 1/20 0.42
▸ F2 P00734 1/20 0.42
▸ C1R P00736 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ CYP1B1 Q16678 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40

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
SCHEMBL15823175 0.98 HPRT1 (0.59) HPRT1ALDH1A1TDP1TSHRCASP6
SCHEMBL17841953 0.94 HPRT1 (0.62) HPRT1ALDH1A1TDP1TSHRCASP6
SCHEMBL17177838 0.91 HPRT1 (0.55) HPRT1ALDH1A1TDP1TSHRCASP6
SCHEMBL15821435 0.91 HPRT1 (0.57) HPRT1ALDH1A1TDP1TSHRCASP6
SCHEMBL21888298 0.87 HPRT1 (0.57) HPRT1ALDH1A1TDP1TSHRCASP6
SCHEMBL14979389 0.85 ALDH1A1 (0.61) HPRT1ALDH1A1TDP1TSHRCYP3A4
SCHEMBL31453720 0.85 ALDH1A1 (0.61) HPRT1ALDH1A1TDP1TSHRCYP3A4
SCHEMBL15055251 0.85 ALDH1A1 (0.66) HPRT1ALDH1A1TDP1CYP3A4LMNA
SCHEMBL2627610 0.84 HPRT1 (0.71) HPRT1ALDH1A1TDP1TSHRCASP6
SCHEMBL15821069 0.84 HPRT1 (0.65) HPRT1ALDH1A1TDP1TSHRCASP6

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-2016099037-A2 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2016-06-23 — — WO disclosed
WO-2016099037-A2 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2016-06-23 — — WO disclosed
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