SCHEMBL6993348

SCHEMBL6993348

COc1ccc(C(=O)c2c(N)sc3c2CCN(Cc2ccccc2)C3)cc1

nearest known ligand 0.79

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 6/20 0.71
MEN1 O00255 5/20 0.68
KMT2A Q03164 5/20 0.68
MAPT P10636 2/20 0.68
LMNA P02545 1/20 0.68
KDM4E B2RXH2 2/20 0.59
POLB P06746 2/20 0.56
GAA P10253 1/20 0.56
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

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
SCHEMBL138362 0.90 ADORA1 (0.74) ADORA1MEN1KMT2AMAPTLMNA
SCHEMBL5712840 0.89 ADORA1 (0.76) ADORA1MEN1KMT2AMAPTLMNA
SCHEMBL7001600 0.87 ADORA1 (0.67) ADORA1MEN1KMT2AMAPTLMNA
SCHEMBL7000426 0.87 ADORA1 (0.62) ADORA1MEN1KMT2AMAPTLMNA
SCHEMBL6998249 0.87 ADORA1 (0.70) ADORA1MEN1KMT2AMAPTLMNA
SCHEMBL7001243 0.87 ADORA1 (0.70) ADORA1MEN1KMT2AMAPTLMNA
SCHEMBL5678867 0.86 ADORA1 (0.71) ADORA1MEN1KMT2AMAPTLMNA
SCHEMBL6992778 0.85 ADORA1 (0.67) ADORA1MEN1KMT2AMAPTLMNA
SCHEMBL16007300 0.85 ADORA1 (0.80) ADORA1MEN1KMT2AMAPTLMNA
SCHEMBL12608918 0.84 ADORA1 (0.82) ADORA1MEN1KMT2AMAPTLMNA

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
EP-1087977-B1 THIENODIPYRIDINE DERIVATIVES, PRODUCTION AND USE THEREOF TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-01-08 EP 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
EP-1087977-A1 THIENODIPYRIDINE DERIVATIVES, PRODUCTION AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2001-04-04 EP disclosed
WO-1999065916-A1 THIENODIPYRIDINE DERIVATIVES, PRODUCTION AND USE THEREOF TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-12-23 WO disclosed