SCHEMBL8617883

SCHEMBL8617883

CC(C#N)Nc1c([N+](=O)[O-])ccc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
HPRT1 P00492 1/20 0.42
TSHR P16473 2/20 0.40
TDP1 Q9NUW8 2/20 0.37
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
MAPT P10636 3/20 0.36
KDM4E B2RXH2 1/20 0.36
CASP6 P55212 1/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
CTSB P07858 1/20 0.36
MAPK1 P28482 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HNF4A P41235 1/20 0.35
LMNA P02545 2/20 0.35
NCEH1 Q6PIU2 1/20 0.35
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 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
SCHEMBL8621279 0.79 ALDH1A1 (0.36) ALDH1A1HPRT1TSHRTDP1MEN1
SCHEMBL8620563 0.78 HSP90AA1 (0.50) ALDH1A1HPRT1TSHRMEN1KMT2A
SCHEMBL8620590 0.78 ALDH1A1 (0.46) ALDH1A1HPRT1TSHRTDP1MEN1
SCHEMBL7358348 0.77 ALDH1A1 (0.43) ALDH1A1HPRT1TSHRTDP1MEN1
SCHEMBL29094639 0.76 ALDH1A1 (0.55) ALDH1A1HPRT1TSHRTDP1MEN1
SCHEMBL6171290 0.75 MAPT (0.38) ALDH1A1TDP1MEN1KMT2AMAPT
SCHEMBL8907167 0.73 ALDH1A1 (0.55) ALDH1A1HPRT1TSHRTDP1MEN1
SCHEMBL21647267 0.72 HPRT1 (0.37) ALDH1A1HPRT1TSHRTDP1MEN1
SCHEMBL27352431 0.71 ALDH1A1 (0.49) ALDH1A1HPRT1TSHRTDP1MEN1
SCHEMBL11619937 0.71 ALDH1A1 (0.53) ALDH1A1HPRT1TSHRMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1041935-C Benzo[f]quinoxalindione derivatives, their preparation and their use in drugs SCHERING AG (DE) 1999-02-03 CN disclosed
US-5710138-A Benzo f!quinoxalinedione derivatives, their production and use in pharmaceutical agents SCHERING AKTIENGESELLSCHAFT (DE) 1998-01-20 US disclosed
EP-0696289-B1 BENZO[F]QUINOXALINDIONE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN DRUGS SCHERING AG (DE) 1997-03-12 EP disclosed
CN-1122136-A Benzo[f]quinoxalindione derivatives, their preparation and their use in drugs SCHERING AG (DE) 1996-05-08 CN disclosed
EP-0696289-A1 BENZO F]QUINOXALINDIONE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN DRUGS SCHERING AG (DE) 1996-02-14 EP disclosed
WO-1994025470-A1 BENZO[F]QUINOXALINDIONE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN DRUGS SCHERING AKTIENGESELLSCHAFT (DE) 1994-11-10 WO disclosed