SCHEMBL11629322

SCHEMBL11629322

Cc1cccc(C(=O)Cl)c1.Nc1cccc(C(=O)Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.56
POLB P06746 2/20 0.51
NPC1 O15118 2/20 0.51
MITF O75030 1/20 0.51
LMNA P02545 1/20 0.51
PBRM1 Q86U86 1/20 0.50
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.46
KMT2A Q03164 2/20 0.45
HPGD P15428 2/20 0.45
KCNK3 O14649 1/20 0.45
KCNH2 Q12809 1/20 0.45
KCNK9 Q9NPC2 1/20 0.45
MEN1 O00255 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
MAPT P10636 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ACHE P22303 1/20 0.43

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
SCHEMBL103438 0.89 PARP1 (0.63) PARP1POLBNPC1HDAC8HDAC6
SCHEMBL29365229 0.89 PARP1 (0.63) PARP1POLBNPC1HDAC8HDAC6
SCHEMBL2134942 0.89 PBRM1 (0.61) PARP1POLBNPC1MITFLMNA
Hydrochloric Acid SCHEMBL10519739 0.87 PBRM1 (0.59) PARP1POLBNPC1MITFLMNA
SCHEMBL9973084 0.85 PBRM1 (0.69) PARP1POLBNPC1MITFLMNA
Benzoyl Chloride SCHEMBL10954201 0.83 SMN1; SMN2 (0.59) PARP1POLBNPC1HDAC8HDAC6
SCHEMBL28546583 0.83 PBRM1 (0.53) PARP1POLBNPC1MITFLMNA
Benzoyl Chloride SCHEMBL8734541 0.81 SMN1; SMN2 (0.56) PARP1POLBNPC1HDAC8HDAC6
Phenol SCHEMBL28085177 0.77 PBRM1 (0.58) PARP1POLBNPC1MITFLMNA
SCHEMBL29168864 0.77 CYP3A4 (0.55) POLBNPC1MITFLMNAPBRM1

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-4069224-A N-(PYRIDYLALKYL)BENZAMIDES, IMPROVE PRODUCTION OF PROSTAGLANDINS IN MAMMALS THE UPJOHN COMPANY (US) 1978-01-17 US disclosed