SCHEMBL7961783

SCHEMBL7961783

Cc1c([N+](=O)[O-])cc2nc(Cl)c(Cl)nc2c1C

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
GALR2 O43603 1/20 0.41
POLB P06746 1/20 0.41
PGK1 P00558 1/20 0.40
CYP1A2 P05177 1/20 0.39
ALDH1A1 P00352 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 2/20 0.36
CCR6 P51684 1/20 0.36
GAA P10253 2/20 0.36
TSHR P16473 2/20 0.36
CTSB P07858 1/20 0.36
CTSH P09668 1/20 0.36
MPI P34949 2/20 0.35
PMM2 O15305 1/20 0.35
HTT P42858 1/20 0.35
ATM Q13315 1/20 0.35
CYP3A4 P08684 1/20 0.34
GPR35 Q9HC97 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
SCHEMBL7594307 0.79 KMT2A (0.38) LMNAGALR2POLBPGK1CYP1A2
SCHEMBL31530747 0.78 LMNA (0.57) LMNAGALR2POLBPGK1CYP1A2
SCHEMBL8552936 0.78 LMNA (0.57) LMNAGALR2POLBPGK1CYP1A2
SCHEMBL31530748 0.78 LMNA (0.57) LMNAGALR2POLBPGK1CYP1A2
SCHEMBL7960036 0.78 ALDH1A1 (0.40) LMNAGALR2POLBCYP1A2ALDH1A1
SCHEMBL8556955 0.77 GAA (0.51) LMNAGALR2POLBPGK1CYP1A2
SCHEMBL7472156 0.75 GRIN2D (0.43) LMNAPOLBPGK1ALDH1A1SMN1; SMN2
SCHEMBL7472075 0.75 MEN1 (0.48) POLBCYP1A2ALDH1A1SMN1; SMN2TDP1
SCHEMBL23749957 0.73 TDP1 (0.40) POLBPGK1CYP1A2ALDH1A1SMN1; SMN2
SCHEMBL8078944 0.73 ALDH1A1 (0.45) LMNAPOLBALDH1A1SMN1; SMN2TDP1

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
US-6172065-B1 CENTRAL NERVOUS SYSTEM DISORDERS WARNER-LAMBERT COMPANY 2001-01-09 US disclosed
WO-1998023599-A1 UREA AND THIOUREA DERIVATIVES OF SUBSTITUTED QUINOXALINE 2,3-DIONES AS GLUTAMATE RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1998-06-04 WO disclosed