SCHEMBL8151065

SCHEMBL8151065

COc1cccc(Cc2ccc([N+](=O)[O-])cc2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.57
▸ MEN1 O00255 6/20 0.57
▸ KMT2A Q03164 6/20 0.57
▸ ALDH1A1 P00352 5/20 0.57
▸ POLB P06746 2/20 0.57
▸ CRHBP P24387 1/20 0.57
▸ CRHR2 Q13324 1/20 0.57
▸ TP53 P04637 1/20 0.54
▸ ADORA2A P29274 1/20 0.52
▸ HTT P42858 1/20 0.51
▸ LMNA P02545 1/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ MTNR1A P48039 1/20 0.50
▸ MTNR1B P49286 1/20 0.50
▸ FPR1 P21462 1/20 0.49
▸ FPR2 P25090 1/20 0.49
▸ SLC29A1 Q99808 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ MAOA P21397 1/20 0.48
▸ MAOB P27338 1/20 0.48

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
SCHEMBL28131042 0.86 NFE2L2 (0.58) MAPTMEN1KMT2AALDH1A1CRHBP
SCHEMBL10651848 0.84 TSHR (0.62) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL14880488 0.84 KCNJ1 (0.63) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL3793588 0.82 MAPT (0.52) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL27102191 0.82 MAOB (0.62) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL13265689 0.81 ALDH1A1 (0.55) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL14191204 0.80 LTA4H (0.70) MAPTALDH1A1TP53HTTLMNA
SCHEMBL28218566 0.80 LTA4H (0.51) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL2099512 0.80 CHRM2 (0.66) MAOBLTA4H
SCHEMBL11685990 0.79 ALDH1A1 (0.57) MAPTMEN1KMT2AALDH1A1POLB

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-6090854-A Aryloxyanilides and related compounds BRISTOL-MEYERS COMPANY (US) 2000-07-18 — — US disclosed
WO-1999048859-A1 ARYLOXYANILIDES AND RELATED COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 1999-09-30 — — WO disclosed
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