SCHEMBL21942074

SCHEMBL21942074

O=[N+]([O-])c1ccc2ccccc2c1-c1ccc2c(c1)sc1c3ccccc3ccc21

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HPRT1 P00492 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.41
▸ MAPT P10636 2/20 0.40
▸ HPGD P15428 1/20 0.40
▸ CASP6 P55212 1/20 0.40
▸ CYP1A1 P04798 5/20 0.39
▸ CYP1B1 Q16678 5/20 0.39
▸ CYP1A2 P05177 3/20 0.39
▸ TSHR P16473 2/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ ERN1 O75460 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ HNF4A P41235 1/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ CTSB P07858 1/20 0.33

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
SCHEMBL19636320 0.90 HPRT1 (0.48) HPRT1ALDH1A1MAPTHPGDCASP6
SCHEMBL18121133 0.84 HPRT1 (0.45) HPRT1ALDH1A1MAPTHPGDCASP6
SCHEMBL15462005 0.82 HPRT1 (0.44) HPRT1ALDH1A1MAPTHPGDCASP6
SCHEMBL17356224 0.79 CYP1B1 (0.49) HPRT1ALDH1A1MAPTHPGDCYP1A1
SCHEMBL18121135 0.78 HPRT1 (0.40) HPRT1ALDH1A1CASP6TSHRTDP1
SCHEMBL19831833 0.78 HPRT1 (0.43) HPRT1ALDH1A1MAPTHPGDCASP6
SCHEMBL17246870 0.77 CYP1A1 (0.49) HPRT1ALDH1A1MAPTHPGDCYP1A1
SCHEMBL17247171 0.77 CYP1B1 (0.42) HPRT1ALDH1A1MAPTHPGDCYP1A1
SCHEMBL17247176 0.77 CYP1B1 (0.42) HPRT1ALDH1A1MAPTHPGDCYP1A1
SCHEMBL17247178 0.77 CYP1A1 (0.42) HPRT1ALDH1A1MAPTHPGDCYP1A1

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
WO-2020085793-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC DEVICE COMPRISING SAME 덕산네오룩스 주식회사 2020-04-30 — — WO disclosed
Send feedback