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Sugi Predict / Compounds / SCHEMBL7852074

SCHEMBL7852074

SCHEMBL7852074

Cc1cc(C)cc(Sc2[nH]c(=O)[nH]c(=O)c2C(C)C)c1.Cc1cc(C)cc(Sc2c(C(C)C)c(=O)[nH]c(=O)n2Cc2c3ccccc3cc3ccccc23)c1

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.30
▸ ALDH1A1 P00352 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
SCHEMBL6086314 0.93 HTT (0.33) HTTALDH1A1
SCHEMBL7837061 0.84 TPH1 (0.30) ALDH1A1
SCHEMBL7842823 0.84 HTR1A (0.34) ALDH1A1
SCHEMBL7842857 0.81 GRIN1 (0.39) ALDH1A1
SCHEMBL7855251 0.80 NR3C1 (0.31) —
SCHEMBL6086995 0.79 POLB (0.35) HTTALDH1A1
SCHEMBL7854092 0.79 ROCK2 (0.32) —
SCHEMBL6086605 0.79 HPGD (0.42) HTTALDH1A1
SCHEMBL6086282 0.78 DAO (0.45) HTTALDH1A1
SCHEMBL7851616 0.76 GRIN1 (0.34) ALDH1A1

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-1100786-A1 ANTIVIRAL PYRIMIDINEDIONE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF Samjin Pharmaceutical Co., Ltd. (KR) 2001-05-23 — — EP disclosed
WO-2000061564-A1 ANTIVIRAL PYRIMIDINEDIONE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF SAMJIN PHARMACEUTICAL CO., LTD. (KR) 2000-10-19 — — WO disclosed