SCHEMBL7001600

SCHEMBL7001600

COc1ccc(C(=O)c2c(N)sc3c2CCN(Cc2ccccc2)C3)cc1OC

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 6/20 0.67
MEN1 O00255 3/20 0.65
KMT2A Q03164 3/20 0.65
LMNA P02545 1/20 0.65
MAPT P10636 1/20 0.65
ACHE P22303 1/20 0.59
KDM4E B2RXH2 1/20 0.54
NT5E P21589 1/20 0.54
POLB P06746 2/20 0.54
PPARG P37231 1/20 0.54
NR2E3 Q9Y5X4 1/20 0.54
NCOR2 Q9Y618 1/20 0.54
CRHBP P24387 1/20 0.53
CRHR2 Q13324 1/20 0.53
GAA P10253 1/20 0.53

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
SCHEMBL7686202 0.93 ADORA1 (0.61) ADORA1MEN1KMT2ALMNAMAPT
SCHEMBL6993348 0.87 ADORA1 (0.71) ADORA1MEN1KMT2ALMNAMAPT
SCHEMBL5678867 0.85 ADORA1 (0.71) ADORA1MEN1KMT2ALMNAMAPT
SCHEMBL138362 0.85 ADORA1 (0.74) ADORA1MEN1KMT2ALMNAMAPT
SCHEMBL5712840 0.84 ADORA1 (0.76) ADORA1MEN1KMT2ALMNAMAPT
SCHEMBL7683564 0.83 ADORA1 (0.65) ADORA1MEN1KMT2ALMNAMAPT
SCHEMBL16007300 0.83 ADORA1 (0.80) ADORA1MEN1KMT2ALMNAMAPT
SCHEMBL5676512 0.83 ADORA1 (0.54) ADORA1MEN1KMT2ALMNAMAPT
SCHEMBL7001243 0.82 ADORA1 (0.70) ADORA1MEN1KMT2ALMNAMAPT
SCHEMBL6998249 0.82 ADORA1 (0.70) ADORA1MEN1KMT2ALMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1087977-B1 THIENODIPYRIDINE DERIVATIVES, PRODUCTION AND USE THEREOF TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-01-08 EP disclosed
US-6403606-B1 ANTIINFLAMMATORY, ANTIARTHRITIS, A DRUG FOR INHIBITING BONE RESORPTION, IMMUNOSUPPRESSANT TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 2002-06-11 US disclosed
US-6214838-B1 WHICH ARE STABLE TO METABOLISM BY THE BODY AND EXHIBITS ANTI-INFLAMMATORY ACTIVITY, BONE RESORPTION INHIBITORY ACTIVITY AND ACTIVITY IN INHIBITING PRODUCTION OF IMMUNOCYTOKINES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-04-10 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