SCHEMBL7681303

SCHEMBL7681303

COc1ccc(CNC(=O)c2ccc(Cl)c(Cl)c2)cc1OC

nearest known ligand 0.90

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.90
NR1H4 Q96RI1 1/20 0.66
SMN1; SMN2 Q16637 1/20 0.65
EPHX2 P34913 1/20 0.63
RECQL P46063 1/20 0.62
HSD17B10 Q99714 1/20 0.62
HDAC4 P56524 1/20 0.61
HDAC1 Q13547 1/20 0.61
HDAC7 Q8WUI4 1/20 0.61
HDAC11 Q96DB2 1/20 0.61
HDAC8 Q9BY41 1/20 0.61
HDAC6 Q9UBN7 1/20 0.61
HDAC9 Q9UKV0 1/20 0.61
HDAC5 Q9UQL6 1/20 0.61
ALDH1A1 P00352 2/20 0.61
TDP1 Q9NUW8 1/20 0.59

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
SCHEMBL10073038 0.87 GAA (0.77) LMNASMN1; SMN2
SCHEMBL8108036 0.84 EPHX2 (0.79) LMNANR1H4SMN1; SMN2EPHX2HDAC4
SCHEMBL582322 0.81 SMN1; SMN2 (0.85) LMNANR1H4SMN1; SMN2RECQLHSD17B10
Hydrochloric Acid SCHEMBL4012950 0.80 SMN1; SMN2 (0.70) LMNANR1H4SMN1; SMN2RECQLHSD17B10
SCHEMBL10107718 0.80 LMNA (0.63) LMNASMN1; SMN2ALDH1A1
SCHEMBL4181318 0.80 NR1H4 (0.80) LMNANR1H4SMN1; SMN2EPHX2ALDH1A1
SCHEMBL12993897 0.80 NR1H4 (0.80) LMNANR1H4SMN1; SMN2ALDH1A1TDP1
SCHEMBL8376571 0.80 NR1H4 (0.80) LMNANR1H4SMN1; SMN2ALDH1A1TDP1
SCHEMBL10196239 0.79 ROCK2 (0.67) LMNANR1H4SMN1; SMN2ALDH1A1
SCHEMBL17194791 0.79 SMN1; SMN2 (1.00) LMNANR1H4SMN1; SMN2EPHX2RECQL

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-6384080-B1 TREATMENT AND/OR PREVENTION OF CERTAIN CARDIOVASCULAR DISORDERS, UROGENITAL DISORDERS, RESPIRATORY SYSTEM DISORDERS, DISORDERS OF GUT MOTILITY, SEXUAL DISORDERS, DIABETIC COMPLICATIONS, URTICARIA FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-05-07 US disclosed