SCHEMBL8029945

SCHEMBL8029945

C=C(C(=O)OC)N(Cc1ccccc1NC(=O)c1cccs1)S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.45
ALDH1A1 P00352 3/20 0.45
BCHE P06276 3/20 0.42
LMNA P02545 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HTT P42858 3/20 0.41
ATM Q13315 1/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PKM P14618 1/20 0.41
APLNR P35414 1/20 0.40
TSHR P16473 1/20 0.40
GAA P10253 1/20 0.39
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39
TUBA1B P68363 1/20 0.39
TUBA4A P68366 1/20 0.39

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
SCHEMBL7225293 0.91 ALDH1A1 (0.49) MAPTALDH1A1BCHELMNAMEN1
SCHEMBL7390326 0.87 PTGES (0.43) MAPTLMNAPTGESKCNH2HPGD
SCHEMBL8019372 0.84 NPC1 (0.44) MAPTALDH1A1LMNAKMT2AHTT
SCHEMBL6610598 0.78 FLT1 (0.52) MAPTLMNAKCNH2HPGD
SCHEMBL6612494 0.77 TAS2R14 (0.46) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL5656436 0.77 LMNA (0.48) MAPTLMNAKMT2APOLBPTGES
SCHEMBL6611082 0.76 LMNA (0.42) MAPTLMNAKMT2APOLBPTGES
SCHEMBL6610090 0.76 SNCA (0.47) MAPTLMNAMEN1KMT2APOLB
SCHEMBL5656058 0.76 POLB (0.48) MAPTALDH1A1KMT2APOLBTUBB4A
SCHEMBL6610937 0.75 POLB (0.48) MAPTLMNAKMT2AHTTPOLB

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-6071903-A ENZYME INHIBITORS OF MATRIX METALLOPROTEINASES (MMPS); ANTITUMOR,-CARCINOGENIC AND -ARTHRITIC AGENTS; OSTEOARTHRITIS; RHEUMATOID DISEASES; DEGENERATIVE CARTILAGE LOSS; LONG-ACTING, ORALLY BIOAVAILABLE NONPEPTIDE INHIBITORS AMERICAN CYANAMID COMPANY (US) 2000-06-06 US disclosed