SCHEMBL8153136

SCHEMBL8153136

C=Cc1c([N+](=O)[O-])ccc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.55
HPRT1 P00492 1/20 0.51
TSHR P16473 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
CASP6 P55212 1/20 0.44
CTSB P07858 1/20 0.43
CYP3A4 P08684 1/20 0.42
RRM1 P23921 2/20 0.41
HNF4A P41235 1/20 0.41
RXRA P19793 1/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
PIM1 P11309 1/20 0.40
APAF1 O14727 1/20 0.40
ATM Q13315 1/20 0.40
SAE1 Q9UBE0 1/20 0.40
UBA2 Q9UBT2 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ERN1 O75460 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
SCHEMBL31338905 0.86 ALDH1A1 (0.58) ALDH1A1HPRT1TSHRTDP1CASP6
SCHEMBL5175572 0.86 ALDH1A1 (0.58) ALDH1A1HPRT1TSHRTDP1CASP6
SCHEMBL7801282 0.83 ALDH1A1 (0.51) ALDH1A1HPRT1TSHRTDP1CASP6
SCHEMBL6414469 0.83 ALDH1A1 (0.55) ALDH1A1HPRT1TSHRTDP1CASP6
SCHEMBL8153134 0.83 ALDH1A1 (0.55) ALDH1A1HPRT1TSHRTDP1CASP6
SCHEMBL6263857 0.77 ALDH1A1 (0.51) ALDH1A1HPRT1TSHRTDP1CASP6
SCHEMBL5941163 0.77 ALDH1A1 (0.60) ALDH1A1HPRT1TSHRTDP1CASP6
SCHEMBL3959829 0.75 TDP1 (0.54) ALDH1A1TSHRTDP1MEN1KMT2A
SCHEMBL1645671 0.74 ALDH1A1 (0.62) ALDH1A1HPRT1TSHRTDP1CASP6
SCHEMBL187452 0.74 TSHR (0.65) ALDH1A1HPRT1TSHRTDP1CASP6

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109232623-B Synthetic method of borazaphenanthrene and derivatives thereof 天津理工大学 2021-04-20 CN claimed
CN-109232623-A A kind of synthetic method of boron aza-phenanthrenes and its derivative 天津理工大学 2019-01-18 CN claimed
US-20250224645-A1 ELECTROPHORETIC MEDIUM COMPRISING PARTICLES HAVING A PIGMENT CORE AND A POLYMERIC SHELL E INK CORPORATION 2025-07-10 US disclosed
CN-109232623-B Synthetic method of borazaphenanthrene and derivatives thereof 天津理工大学 2021-04-20 CN disclosed
CN-109232623-A A kind of synthetic method of boron aza-phenanthrenes and its derivative 天津理工大学 2019-01-18 CN disclosed
EP-0944594-A4 INHIBITORS OF THE ENZYMATIC ACTIVITY OF PSA LILLY CO ELI (US) 2000-05-03 EP disclosed
EP-0944594-A1 INHIBITORS OF THE ENZYMATIC ACTIVITY OF PSA ELI LILLY AND COMPANY (US) 1999-09-29 EP disclosed
WO-1998025895-A1 INHIBITORS OF THE ENZYMATIC ACTIVITY OF PSA ELI LILLY AND COMPANY (US) 1998-06-18 WO disclosed