Sugi Predict

Sugi Predict / Compounds / SCHEMBL9957482

SCHEMBL9957482

SCHEMBL9957482

Nc1cccc(CC2(O)CCCCC2)c1F

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ GRIN2B Q13224 1/20 0.32
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ SLC6A3 Q01959 1/20 0.30

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
SCHEMBL7101911 0.83 USP2 (0.41) USP2TSHRCYP3A4CYP2C19
SCHEMBL7105614 0.83 USP2 (0.41) USP2TSHRCYP3A4CYP2C19
SCHEMBL4556660 0.81 TSHR (0.39) USP2TSHRCYP3A4CYP2C19
SCHEMBL7108350 0.78 FDPS (0.36) USP2TSHRCYP3A4CYP2C19
SCHEMBL10192225 0.76 ALDH1A1 (0.44) USP2TSHRGRIN2BSLC6A3
SCHEMBL10191864 0.76 ALDH1A1 (0.44) USP2TSHRGRIN2BSLC6A3
SCHEMBL10614529 0.73 USP2 (0.41) USP2TSHRSLC6A3
SCHEMBL5348277 0.69 GRIN2B (0.41) USP2TSHRGRIN2B
SCHEMBL633453 0.69 CYP3A4 (0.40) TSHRCYP3A4
SCHEMBL6942515 0.69 POLB (0.46) USP2TSHR

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-2654748-A1 INDAZOLE DERIVATIVES USEFUL AS ERK INHIBITORS Merck Sharp & Dohme Corp. (US) 2013-10-30 — — EP disclosed
WO-2012087772-A1 INDAZOLE DERIVATIVES USEFUL AS ERK INHIBITORS SCHERING CORPORATION (US) 2012-06-28 — — WO disclosed