SCHEMBL15902177

SCHEMBL15902177

Oc1ccc(CSc2cccc3ccccc23)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HPGD P15428 2/20 0.42
HTT P42858 1/20 0.42
POLB P06746 1/20 0.42
IFNAR1 P17181 1/20 0.41
HDAC6 Q9UBN7 2/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL6057233 0.85 POLB (0.57) CYP1A2CYP2C9CYP2C19HPGDHTT
SCHEMBL8586266 0.78 CYP1A2 (0.70) CYP1A2CYP2C9CYP2C19HPGDHTT
SCHEMBL24430030 0.78 ALDH1A1 (0.39) CYP1A2CYP2C9CYP2C19HPGDHTT
SCHEMBL12293627 0.77 POLB (0.71) CYP1A2CYP2C9CYP2C19POLBALDH1A1
SCHEMBL24429944 0.74 KDM4E (0.66) CYP1A2CYP2C9CYP2C19HPGDHTT
SCHEMBL2232580 0.74 HDAC3 (0.45) CYP1A2CYP2C9CYP2C19HPGDIFNAR1
SCHEMBL7201257 0.73 NR1H2 (0.48) CYP1A2CYP2C9CYP2C19IFNAR1ALDH1A1
SCHEMBL8963452 0.73 KEAP1 (0.60) CYP2C19TDP1KEAP1
SCHEMBL11591010 0.72 CYP1A2 (0.56) CYP1A2CYP2C9CYP2C19HPGDHTT
SCHEMBL30475068 0.72 CYP1A2 (0.56) CYP1A2CYP2C9CYP2C19HPGDHTT

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
US-20140212578-A1 MAGNETIC SHEET COMPOSITION, MAGNETIC SHEET, AND METHOD FOR PRODUCING MAGNETIC SHEET DEXERIALS CORPORATION (JP) 2014-07-31 US disclosed