SCHEMBL8307443

SCHEMBL8307443

C=CCc1ccc(N)c([N+](=O)[O-])c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.53
ALDH1A1 P00352 5/20 0.53
MAPT P10636 5/20 0.53
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
POLB P06746 4/20 0.53
CYP3A4 P08684 2/20 0.53
ALOX15 P16050 1/20 0.53
TSHR P16473 2/20 0.50
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.43
PKM P14618 1/20 0.43
HPGD P15428 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
GABRA1 P14867 2/20 0.41
GABRB2 P47870 2/20 0.41
XDH P47989 1/20 0.41

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
SCHEMBL11295676 0.83 MAPT (0.53) TDP1ALDH1A1MAPTMEN1KMT2A
SCHEMBL16655546 0.81 TDP1 (0.58) TDP1ALDH1A1MAPTMEN1KMT2A
SCHEMBL30989211 0.80 TDP1 (0.62) TDP1ALDH1A1MAPTMEN1KMT2A
SCHEMBL2929031 0.80 TDP1 (0.62) TDP1ALDH1A1MAPTMEN1KMT2A
SCHEMBL12798874 0.80 TDP1 (0.62) TDP1ALDH1A1MAPTMEN1KMT2A
SCHEMBL8733637 0.80 XDH (0.58) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL9511426 0.80 VCAM1 (0.51) TDP1ALDH1A1POLBCYP3A4HTT
SCHEMBL11079242 0.79 TDP1 (0.60) TDP1ALDH1A1MAPTMEN1KMT2A
SCHEMBL31423774 0.79 TDP1 (0.60) TDP1ALDH1A1MAPTMEN1KMT2A
SCHEMBL11789708 0.78 ALDH1A1 (0.44) ALDH1A1MAPTMEN1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0576251-B1 Substituted 1,2,4-triazine-3,5-dione derivatives and drug compositions containing them, particularly for coccidiosis treatment SUNTORY LTD (JP) 1999-11-24 EP claimed
EP-0960103-A1 TERBENZIMIDAZOLES USEFUL FOR MEDICAL THERAPY (TOPOISOMERASE INHIBITORS) RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 1999-12-01 EP disclosed
US-5948797-A ANTITUMOR AGENT RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 1999-09-07 US disclosed
WO-1998031673-A9 TERBENZIMIDAZOLES USEFUL FOR MEDICAL THERAPY (TOPOISOMERASE INHIBITORS) 1998-12-10 WO disclosed
US-5807874-A ANTITUMOR AGENTS, ANTICARCINOGENIC AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 1998-09-15 US disclosed
WO-1998031673-A1 TERBENZIMIDAZOLES USEFUL FOR MEDICAL THERAPY (TOPOISOMERASE INHIBITORS) RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 1998-07-23 WO disclosed
US-5770617-A Terbenzimidazoles useful as antifungal agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 1998-06-23 US disclosed
US-5767142-A INHIBITION OF MAMMALIAN TUMOR CELL GROWTH RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 1998-06-16 US disclosed
EP-0839140-A1 TRIBENZIMIDAZOLES USEFUL AS TOPOISOMERASE I INHIBITORS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 1998-05-06 EP disclosed
WO-1996036612-A1 TRIBENZIMIDAZOLES USEFUL AS TOPOISOMERASE I INHIBITORS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 1996-11-21 WO disclosed
US-4060491-A 5-ALKYL BENZOTRIAZOLE MOBIL OIL CORPORATION (US) 1977-11-29 US disclosed