SCHEMBL7670944

SCHEMBL7670944

CCN(CC)CCN(c1ccc2c(c1)nc(CCc1ccc(C(N)=NO)cc1)n2CCOc1ccccc1OC)S(=O)(=O)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F2 P00734 5/20 0.40
HDAC1 Q13547 2/20 0.39
HDAC8 Q9BY41 1/20 0.39
LMNA P02545 2/20 0.39
MAPK1 P28482 1/20 0.39
OPRM1 P35372 5/20 0.38
NOS1 P29475 4/20 0.38
NOS3 P29474 3/20 0.38
CNR2 P34972 1/20 0.36
NOS2 P35228 2/20 0.36
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
NTRK1 P04629 2/20 0.34
NTRK2 Q16620 2/20 0.34

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
SCHEMBL7672536 0.92 F2 (0.49) F2HDAC1HDAC8LMNAMAPK1
SCHEMBL7664504 0.89 F2 (0.43) F2HDAC1HDAC8OPRM1NOS1
SCHEMBL7664507 0.88 HDAC1 (0.46) F2HDAC1HDAC8OPRM1NOS1
SCHEMBL7674611 0.88 HDAC1 (0.43) F2HDAC1HDAC8
SCHEMBL7669133 0.85 HDAC1 (0.43) F2HDAC1HDAC8OPRM1NOS1
SCHEMBL7675369 0.85 F2 (0.41) F2HDAC1HDAC8OPRM1NOS1
SCHEMBL6983580 0.84 F2 (0.52) F2HDAC1HDAC8CNR2
SCHEMBL7672300 0.84 HDAC1 (0.42) F2HDAC1HDAC8OPRM1NOS1
SCHEMBL6974208 0.82 BMP1 (0.45) F2OPRM1NOS1NOS3CNR2
SCHEMBL7667594 0.81 F2 (0.55) F2HDAC1HDAC8LMNACNR2

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