SCHEMBL9404200

SCHEMBL9404200

Nc1cccc2cc([N+](=O)[O-])cc(N)c12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 6/20 0.50
TSHR P16473 3/20 0.50
GPR35 Q9HC97 1/20 0.47
ALDH1A1 P00352 5/20 0.47
LMNA P02545 1/20 0.45
CYP3A4 P08684 4/20 0.44
GAA P10253 1/20 0.44
THRB P10828 1/20 0.44
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
MAPT P10636 3/20 0.42
ALOX15 P16050 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
PKM P14618 1/20 0.41
NFKB1 P19838 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
SCHEMBL11006206 0.86 TDP1 (0.56) TDP1TSHRGPR35ALDH1A1LMNA
SCHEMBL29903867 0.79 TSHR (0.58) TDP1TSHRALDH1A1LMNACYP3A4
SCHEMBL10788183 0.79 TSHR (0.58) TDP1TSHRALDH1A1LMNACYP3A4
SCHEMBL8688741 0.76 TDP1 (0.66) TDP1TSHRGPR35ALDH1A1LMNA
SCHEMBL31447779 0.75 TDP1 (0.52) TDP1TSHRALDH1A1LMNACYP3A4
SCHEMBL8686354 0.75 TDP1 (0.52) TDP1TSHRALDH1A1LMNACYP3A4
SCHEMBL30738237 0.74 TDP1 (0.62) TDP1TSHRALDH1A1LMNACYP3A4
SCHEMBL1826053 0.74 TDP1 (0.62) TDP1TSHRGPR35ALDH1A1LMNA
SCHEMBL30503606 0.74 TDP1 (0.62) TDP1TSHRGPR35ALDH1A1LMNA
SCHEMBL29415362 0.74 TSHR (0.55) TDP1TSHRGPR35ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0349219-B1 1,2,4,5-benzoylenebis(naphtho[1,8-de]pyrimidine) compounds and their use SHARP KK (JP) 1994-10-05 EP disclosed
US-5116706-A As charge generating component SHARP KABUSHIKI KAISHA (JP) 1992-05-26 US disclosed
EP-0349219-A1 1,2,4,5-benzoylenebis(naphtho[1,8-de]pyrimidine) compounds and their use SHARP KABUSHIKI KAISHA (JP) 1990-01-03 EP disclosed