SCHEMBL10067207

SCHEMBL10067207

CCCNC(=O)N(O)c1cc(C(F)(F)F)ccc1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ LMNA P02545 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ HTT P42858 2/20 0.40
▸ ALOX5 P09917 1/20 0.39
▸ TRPA1 O75762 4/20 0.38
▸ CYP1A2 P05177 2/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ TAS2R14 Q9NYV8 1/20 0.37
▸ HDAC3 O15379 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ TP53 P04637 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 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
SCHEMBL10067206 0.89 TAS2R14 (0.39) ALDH1A1POLBMEN1KMT2AGAA
SCHEMBL2736838 0.86 MAPT (0.48) ALDH1A1POLBMEN1KMT2ALMNA
SCHEMBL10067056 0.78 NPSR1 (0.46) MEN1KMT2ALMNACYP1A2TAS2R14
SCHEMBL10067058 0.77 ALDH1A1 (0.59) ALDH1A1POLBMEN1KMT2ALMNA
SCHEMBL14963062 0.76 RAB9A (0.44) ALDH1A1POLBMEN1KMT2ALMNA
SCHEMBL879518 0.75 MAPT (0.50) ALDH1A1POLBMEN1KMT2ALMNA
SCHEMBL23549985 0.69 DHFR (0.39) LMNATAS2R14MAPT
SCHEMBL13543371 0.69 RAB9A (0.47) POLBMEN1KMT2ARAB9AKDM4E
SCHEMBL10067205 0.68 TSHR (0.49) ALDH1A1POLBMEN1KMT2ALMNA
SCHEMBL6358316 0.67 ALDH1A1 (0.69) ALDH1A1POLBMEN1KMT2AHTT

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
EP-2059587-B1 LACCASES FOR PULP BIO-BLEACHING VERENIUM CORP (US) 2012-01-04 — — EP disclosed
WO-2008027501-A2 LACCASES FOR PULP BIO-BLEACHING VERENIUM CORPORATION (US) 2008-03-06 — — WO disclosed
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