SCHEMBL10477443

SCHEMBL10477443

Nc1ccc(C(O)c2ccc(F)cc2)cc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 5/20 0.49
▸ MAPT P10636 4/20 0.49
▸ MEN1 O00255 3/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ POLB P06746 2/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ ALOX15 P16050 1/20 0.49
▸ ADRB2 P07550 1/20 0.47
▸ LMNA P02545 1/20 0.46
▸ TSHR P16473 2/20 0.46
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ CA14 Q9ULX7 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ PKM P14618 1/20 0.40
▸ HSPB1 P04792 1/20 0.38
▸ EPAS1 Q99814 1/20 0.38

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
SCHEMBL9198122 0.86 LMNA (0.51) TDP1MAPTMEN1KMT2APOLB
SCHEMBL9193057 0.80 TDP1 (0.44) TDP1MAPTMEN1KMT2APOLB
SCHEMBL31633573 0.79 CA12 (0.57) TDP1MAPTMEN1KMT2APOLB
SCHEMBL537892 0.78 TDP1 (0.64) TDP1MAPTMEN1KMT2APOLB
SCHEMBL7604891 0.78 TSHR (0.56) TDP1MAPTMEN1KMT2APOLB
SCHEMBL10451338 0.77 TDP1 (0.50) TDP1MAPTMEN1KMT2APOLB
Fluoride SCHEMBL27394412 0.77 TDP1 (0.62) TDP1MAPTMEN1KMT2APOLB
SCHEMBL17065000 0.76 CA12 (0.51) TDP1MAPTMEN1KMT2AALDH1A1
SCHEMBL720358 0.76 TDP1 (0.79) TDP1MAPTMEN1KMT2APOLB
SCHEMBL22547092 0.74 CA12 (0.65) TDP1MAPTMEN1KMT2APOLB

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
EP-0328203-A2 [5(6) (1H-azole-1-ylmethyl)benzimidazole] carbamates JANSSEN PHARMACEUTICA N.V. (BE) 1989-08-16 — — EP disclosed
US-4826862-A Anthelminthic [(5(6) (1H-azole-1-ylmethyl)benzimidazole]carbamates JANSSEN PHARMACEUTICA, N.V. (BE) 1989-05-02 — — US disclosed
Send feedback