SCHEMBL7829557

SCHEMBL7829557

Cc1cc2cc(Cl)cc([N+](=O)[O-])c2o1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.38
TSHR P16473 2/20 0.37
MAPK1 P28482 2/20 0.37
ALDH1A1 P00352 1/20 0.36
MAPT P10636 4/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
VCAM1 P19320 1/20 0.36
LMNA P02545 3/20 0.35
TDP1 Q9NUW8 2/20 0.35
MEN1 O00255 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
MAOB P27338 1/20 0.35
HRH4 Q9H3N8 1/20 0.35
MAOA P21397 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL28970595 0.83 GPR35 (0.48) GPR35TSHRMAPK1ALDH1A1MAPT
SCHEMBL8339952 0.81 GPR35 (0.38) GPR35TSHRMAPK1ALDH1A1MAPT
SCHEMBL6977065 0.79 MAOB (0.47) ALDH1A1MAPTLMNATDP1MEN1
SCHEMBL7828455 0.75 MAOA (0.60) GPR35TSHRALDH1A1MAPTCYP1A2
SCHEMBL11206420 0.74 MAPT (0.44) TSHRMAPK1ALDH1A1MAPTLMNA
SCHEMBL13799427 0.72 AHR (0.42) GPR35MAPK1ALDH1A1CYP1A2CYP3A4
SCHEMBL2293882 0.72 GPR35 (0.47) GPR35MAPK1ALDH1A1MAPTCYP1A2
SCHEMBL3612247 0.72 TDP1 (0.54) GPR35TSHRMAPK1ALDH1A1MAPT
SCHEMBL15724663 0.69 MAOB (0.53) MAPK1ALDH1A1CYP1A2CYP3A4MAOB
SCHEMBL11210425 0.68 LMNA (0.41) TSHRMAPK1ALDH1A1MAPTLMNA

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-0757682-B1 BENZOFURAN DERIVATIVES USEFUL AS INHIBITORS OF BONE RESORPTION FUJISAWA PHARMACEUTICAL CO (JP) 2001-06-20 EP disclosed
US-5858995-A ADMINISTERING TO HUMANS AND ANIMALS IN THE TREATMENT OF DISEASES CAUSED BY ABNORMAL BONE METABOLISM FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-01-12 US disclosed
EP-0757682-A1 BENZOFURAN DERIVATIVES USEFUL AS INHIBITORS OF BONE RESORPTION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-02-12 EP disclosed