SCHEMBL7683564

SCHEMBL7683564

COc1cccc(C(=O)c2c(N)sc3c2CCN(Cc2ccccc2)C3)c1OC

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 7/20 0.65
MEN1 O00255 1/20 0.63
LMNA P02545 1/20 0.63
MAPT P10636 1/20 0.63
KMT2A Q03164 1/20 0.63
POLB P06746 1/20 0.52
GAA P10253 1/20 0.52
KDM4E B2RXH2 1/20 0.50
SLC6A12 P48065 1/20 0.49

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
SCHEMBL7001600 0.83 ADORA1 (0.67) ADORA1MEN1LMNAMAPTKMT2A
SCHEMBL5675281 0.83 ADORA1 (0.70) ADORA1MEN1LMNAMAPTKMT2A
SCHEMBL6993348 0.82 ADORA1 (0.71) ADORA1MEN1LMNAMAPTKMT2A
SCHEMBL16007300 0.81 ADORA1 (0.80) ADORA1MEN1LMNAMAPTKMT2A
SCHEMBL12608918 0.80 ADORA1 (0.82) ADORA1MEN1LMNAMAPTKMT2A
SCHEMBL1787090 0.80 ADORA1 (1.00) ADORA1MEN1LMNAMAPTKMT2A
SCHEMBL138362 0.79 ADORA1 (0.74) ADORA1MEN1LMNAMAPTKMT2A
SCHEMBL7686202 0.79 ADORA1 (0.61) ADORA1MEN1LMNAMAPTKMT2A
SCHEMBL5712840 0.78 ADORA1 (0.76) ADORA1MEN1LMNAMAPTKMT2A
SCHEMBL5676512 0.78 ADORA1 (0.54) ADORA1MEN1LMNAMAPTKMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6403606-B1 ANTIINFLAMMATORY, ANTIARTHRITIS, A DRUG FOR INHIBITING BONE RESORPTION, IMMUNOSUPPRESSANT TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 2002-06-11 US disclosed
US-6046189-A ANTI-INFLAMMATORY DRUG, PARTICULARLY, A DRUG FOR PREVENTING OR TREATING ARTHRITIS, A DRUG FOR INHIBITING BONE RESORPTION, IMMUNOSUPPRESSANT TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-04-04 US disclosed
EP-0900223-A1 THIENOPYRIDINE DERIVATIVES AND THEIR USE Takeda Chemical Industries, Ltd. (JP) 1999-03-10 EP disclosed
WO-1997040050-A1 THIENOPYRIDINE DERIVATIVES AND THEIR USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-10-30 WO disclosed