SCHEMBL10547223

SCHEMBL10547223

COC(=O)c1cc([N+](=O)[O-])cc2cc(-c3ccccc3)oc12

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 1/20 0.48
▸ MAOB P27338 1/20 0.44
▸ MEN1 O00255 4/20 0.43
▸ KMT2A Q03164 4/20 0.43
▸ MAPT P10636 4/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ ALDH1A1 P00352 4/20 0.41
▸ LMNA P02545 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ EIF4A1 P60842 1/20 0.40
▸ SLC6A4 P31645 1/20 0.40
▸ ALOX5 P09917 1/20 0.39
▸ NQO2 P16083 1/20 0.39

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
SCHEMBL10553934 0.86 MAOA (0.53) MAOAMAOBMEN1KMT2AMAPT
SCHEMBL10549283 0.81 ADORA3 (0.48) MAOAMAOBMEN1KMT2AMAPT
SCHEMBL3215517 0.80 PTGER1 (0.47) SMN1; SMN2NPC1ALDH1A1SLC6A4
SCHEMBL10695473 0.80 MAPT (0.52) MAOAMAOBMEN1KMT2AMAPT
SCHEMBL23073217 0.78 MAOA (0.56) MAOAMAOBMEN1KMT2AMAPT
SCHEMBL10547117 0.78 MAOA (0.55) MAOAMAOBMEN1KMT2AMAPT
SCHEMBL10548938 0.78 KDM4E (0.47) MEN1KMT2AALDH1A1LMNATDP1
SCHEMBL3223985 0.77 ALDH1A1 (0.41) MAOAMAOBMEN1KMT2AMAPT
SCHEMBL3212340 0.77 PTGS2 (0.44) MAOAMAOBMEN1KMT2AMAPT
SCHEMBL18152742 0.76 MAOA (0.56) MAOAMAOBMEN1KMT2AMAPT

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
US-4829067-A INHIBITORS OF REFLECTIVE CONTRACTION OF BLADDER TANABE SEIYAKU CO., LTD. (JP) 1989-05-09 — — US disclosed
EP-0270342-A2 A benzo-furan (or -thiophene) derivative and processes for preparing the same Tanabe Seiyaku Co., Ltd. (JP) 1988-06-08 — — EP disclosed
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