SCHEMBL4969734

SCHEMBL4969734

COc1ccc(C#Cc2ccc([N+](=O)[O-])cc2N)cc1N

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.71
HTT P42858 2/20 0.56
CASP3 P42574 1/20 0.51
SENP8 Q96LD8 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
SENP6 Q9GZR1 1/20 0.51
MAPT P10636 4/20 0.47
RECQL P46063 1/20 0.47
DUSP3 P51452 1/20 0.47
PTPN5 P54829 1/20 0.47
PTPN11 Q06124 1/20 0.47
CYP3A4 P08684 4/20 0.44
TSHR P16473 1/20 0.44
LMNA P02545 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 4/20 0.42
GAA P10253 1/20 0.41
THRB P10828 1/20 0.41
CYP19A1 P11511 1/20 0.41
PTGS2 P35354 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
SCHEMBL14387461 0.86 TDP1 (0.57) TDP1HTTCASP3SENP8SENP7
SCHEMBL3462835 0.84 TDP1 (1.00) TDP1HTTMAPTRECQLDUSP3
SCHEMBL269845 0.84 TDP1 (1.00) TDP1HTTMAPTRECQLDUSP3
Ammonia Solution, Strong SCHEMBL10880861 0.83 TDP1 (0.96) TDP1HTTMAPTRECQLDUSP3
Hydrochloric Acid SCHEMBL21772081 0.83 TDP1 (0.96) TDP1HTTMAPTRECQLDUSP3
SCHEMBL9952228 0.77 HTT (0.56) TDP1HTTCASP3SENP8SENP7
Aniline SCHEMBL22169236 0.76 TDP1 (0.82) TDP1HTTMAPTRECQLDUSP3
SCHEMBL31735778 0.76 CASP3 (0.57) TDP1HTTCASP3SENP8SENP7
SCHEMBL4969195 0.75 MAPT (0.50) TDP1HTTCASP3SENP8SENP7
SCHEMBL1629852 0.75 CYP3A4 (0.56) TDP1HTTCASP3SENP8SENP7

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-0980016-B1 ALIGNING AGENT FOR LIQUID CRYSTAL NISSAN CHEMICAL IND LTD (JP) 2008-09-24 EP disclosed
US-6274695-B1 THIN FILM POLYMER NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2001-08-14 US disclosed
EP-0980016-A1 ALIGNING AGENT FOR LIQUID CRYSTAL Nissan Chemical Industries, Ltd. (JP) 2000-02-16 EP disclosed