SCHEMBL13983250

SCHEMBL13983250

CCCCOc1cc(OC)ccc1-c1cccc(-c2ccc(C#N)cc2)c1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.42
▸ CYP11B1 P15538 2/20 0.40
▸ CYP11B2 P19099 2/20 0.40
▸ STAT3 P40763 2/20 0.39
▸ CYP1A1 P04798 1/20 0.39
▸ CYP1B1 Q16678 1/20 0.39
▸ RAB9A P51151 3/20 0.38
▸ PTPN1 P18031 2/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ HPGD P15428 3/20 0.37
▸ HTT P42858 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ ALDH1A1 P00352 4/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ ABCG2 Q9UNQ0 1/20 0.35
▸ SYK P43405 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
SCHEMBL13982748 0.91 RAB9A (0.43) MAPTCYP11B1CYP11B2CYP1A1CYP1B1
SCHEMBL13982773 0.88 PTPN1 (0.48) MAPTCYP11B1CYP11B2CYP1A1CYP1B1
SCHEMBL13982743 0.84 PTGDR2 (0.42) MAPTCYP11B1CYP11B2CYP1A1CYP1B1
SCHEMBL13982789 0.83 SMN1; SMN2 (0.46) MAPTCYP11B1CYP11B2RAB9APTPN1
SCHEMBL13983249 0.81 RAB9A (0.44) MAPTCYP11B1CYP11B2RAB9APTPN1
SCHEMBL13982697 0.80 MAPT (0.49) MAPTRAB9APTPN1NPC1SMN1; SMN2
SCHEMBL13982742 0.80 PTGDR2 (0.42) MAPTCYP1A1CYP1B1RAB9APTPN1
SCHEMBL13983269 0.78 CRHR1 (0.43) MAPTRAB9APTPN1NPC1SMN1; SMN2
SCHEMBL13983162 0.73 RAB9A (0.48) MAPTCYP11B1CYP11B2RAB9APTPN1
SCHEMBL13982786 0.72 MAPT (0.47) MAPTRAB9ANPC1SMN1; SMN2KMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008156656-A2 METHOD FOR MAKING BIARYL COMPOUNDS, COMPOUNDS MADE BY THE METHOD, AND METHOD FOR THEIR USE STATE OF OREGON ACTING BY AND THROUGH THE STATE BOARD OF HIGHER EDUCATION ON BEHALF OF OREGON STATE UNIVERSITY (US) 2008-12-24 — — WO disclosed
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