SCHEMBL7664504

SCHEMBL7664504

CCN(CC)CCN(c1ccc2c(c1)nc(CCc1ccc(C(N)=NO)cc1)n2CCO)S(=O)(=O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F2 P00734 7/20 0.43
HDAC1 Q13547 4/20 0.42
HDAC8 Q9BY41 2/20 0.42
NOS1 P29475 2/20 0.37
OPRM1 P35372 2/20 0.37
NOS3 P29474 1/20 0.37
CNR2 P34972 2/20 0.36
THRB P10828 1/20 0.36
RECQL P46063 1/20 0.36
NR1I2 O75469 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.36
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL7664507 0.96 HDAC1 (0.46) F2HDAC1HDAC8NOS1OPRM1
SCHEMBL7674611 0.93 HDAC1 (0.43) F2HDAC1HDAC8THRBRECQL
SCHEMBL7670502 0.91 F2 (0.54) F2HDAC1HDAC8CNR2THRB
SCHEMBL7669133 0.90 HDAC1 (0.43) F2HDAC1HDAC8NOS1OPRM1
SCHEMBL7672300 0.90 HDAC1 (0.42) F2HDAC1HDAC8NOS1OPRM1
SCHEMBL7675369 0.90 F2 (0.41) F2HDAC1HDAC8NOS1OPRM1
SCHEMBL7670944 0.89 F2 (0.40) F2HDAC1HDAC8NOS1OPRM1
SCHEMBL7664418 0.87 F2 (0.53) F2HDAC1HDAC8THRBRECQL
SCHEMBL7667594 0.86 F2 (0.55) F2HDAC1HDAC8CNR2NR1I2
SCHEMBL7668863 0.86 F2 (0.55) F2HDAC1HDAC8THRBRECQL

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-6365584-B1 FOR PROPHYLAXIS AND THERAPY OF INFLAMMATORY AND/OR ALLERGIC DISEASES, LUNG FIBROSIS, FIBROSING ALVEOLITIS AND SCARRING, COLLAGENOSES SUCH AS LUPUS ERYTHEMATODES AND SCLERODERMIA AS WELL AS ARTERIOSCLEROSIS, PSORIASIS AND NEOPLASM BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-04-02 US disclosed