SCHEMBL10616144

SCHEMBL10616144

O=C(NC(Cl)(Cl)Cl)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.54
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
IDO1 P14902 1/20 0.54
ALOX15 P16050 1/20 0.54
HDAC1 Q13547 1/20 0.54
CA9 Q16790 1/20 0.54
HDAC7 Q8WUI4 1/20 0.54
HDAC2 Q92769 1/20 0.54
HSD17B10 Q99714 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
NCOR2 Q9Y618 1/20 0.54
POLB P06746 2/20 0.53
LMNA P02545 1/20 0.52
GAA P10253 1/20 0.50
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
ALDH1A1 P00352 3/20 0.47
CYP2C9 P11712 1/20 0.47

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
SCHEMBL9491963 0.84 HDAC3 (0.52) HDAC3CA12CA1IDO1ALOX15
SCHEMBL11570784 0.83 POLB (0.50) HDAC3CA12CA1IDO1ALOX15
SCHEMBL28646933 0.81 ALOX15 (0.58) HDAC3CA12CA1IDO1ALOX15
SCHEMBL7525213 0.79 POLB (0.51) HDAC3CA12CA1IDO1ALOX15
SCHEMBL9561167 0.79 POLB (0.47) HDAC3CA12CA1IDO1ALOX15
SCHEMBL13416406 0.79 ALOX15 (0.56) HDAC3CA12CA1IDO1ALOX15
SCHEMBL118008 0.77 HDAC3 (0.54) HDAC3CA12CA1IDO1ALOX15
SCHEMBL452998 0.77 ALOX15 (0.54) HDAC3CA12CA1IDO1ALOX15
SCHEMBL408310 0.77 CYP2C9 (0.67) HDAC3CA12CA1IDO1ALOX15
SCHEMBL12468822 0.77 LMNA (0.51) HDAC3CA12CA1IDO1ALOX15

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-63313761-A None JP disclosed
EP-2758540-A1 METHOD FOR CONTROLLING UNDESIRABLE BYPRODUCTS FORMATION CAUSED BY CONTAMINATING ORGANISMS IN THE PRODUCTION OF ETHANOL FROM SYNGAS Coskata Energy Inc. (US) 2014-07-30 EP disclosed
WO-2013043513-A1 METHOD FOR CONTROLLING UNDESIRABLE BYPRODUCTS FORMATION CAUSED BY CONTAMINATING ORGANISMS IN THE PRODUCTION OF ETHANOL FROM SYNGAS COSKATA, INC. (US) 2013-03-28 WO disclosed
CN-1205335-A Tricyclic diazepine vasopression antagonists AMERICAN CYANAMID CO (US) 1999-01-20 CN disclosed
JP-S63313761-A PRODUCTION OF CYANOBENZOYL CHLORIDE IHARA CHEM IND CO LTD 1988-12-21 JP disclosed