SCHEMBL12264644

SCHEMBL12264644

O=C1NC2=C(c3cc4sccc4s3)C(=O)NC2=C1c1cc2sccc2s1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 1/20 0.40
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
GAA P10253 3/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.33
TLK2 Q86UE8 1/20 0.33
GLA P06280 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL178974 0.90 GPR35 (0.40) GPR35HDAC3HDAC4HDAC1HDAC7
SCHEMBL14757447 0.84 GPR35 (0.36) GPR35HDAC3HDAC4HDAC1HDAC7
SCHEMBL12264654 0.81 CYP2A6 (0.33)
SCHEMBL15715104 0.79 GPR35 (0.34) GPR35HDAC3HDAC4HDAC1HDAC7
SCHEMBL845679 0.74 GPR35 (0.50) GPR35HDAC3HDAC4HDAC1HDAC7
SCHEMBL12264643 0.73 GAA (0.38) GPR35HDAC3HDAC4HDAC1HDAC7
SCHEMBL2397573 0.68 GSK3B (0.47) ALDH1A1POLBGLAL3MBTL1
SCHEMBL12073935 0.68 GPR35 (0.41) GPR35HDAC3HDAC4HDAC1HDAC7
SCHEMBL12606487 0.67 GPR35 (0.38) GPR35HDAC3HDAC4HDAC1HDAC7
SCHEMBL17112945 0.64 GPR35 (0.41) GPR35HDAC3HDAC4HDAC1HDAC7

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
US-20110226338-A1 PYRROLO[3,2-B]PYRROLE SEMICONDUCTING COMPOUNDS AND DEVICES INCORPORATING SAME RAYNERGY TEK INC. (TW) 2011-09-22 US disclosed
US-20110226338-A1 PYRROLO[3,2-B]PYRROLE SEMICONDUCTING COMPOUNDS AND DEVICES INCORPORATING SAME RAYNERGY TEK INC. (TW) 2011-09-22 US disclosed