SCHEMBL7685507

SCHEMBL7685507

COc1ccc(C(=O)c2c(N)sc3c2CCN(C(=O)c2ccc(Cl)cc2)C3)cc1OC

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
KDM4E B2RXH2 2/20 0.52
MAPT P10636 1/20 0.52
MAPK1 P28482 1/20 0.50
TDP1 Q9NUW8 1/20 0.49
PDE4B Q07343 2/20 0.48
PDE4D Q08499 2/20 0.48
FLT3 P36888 3/20 0.43
RECQL P46063 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
ADORA1 P30542 1/20 0.43

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
SCHEMBL7682259 0.93 MEN1 (0.54) MEN1KMT2AKDM4EMAPTMAPK1
SCHEMBL7682075 0.92 MEN1 (0.52) MEN1KMT2AKDM4EMAPTMAPK1
SCHEMBL7684068 0.91 MAPT (0.53) MEN1KMT2AKDM4EMAPTMAPK1
SCHEMBL7685324 0.84 MAPT (0.49) MEN1KMT2AKDM4EMAPTMAPK1
SCHEMBL7001600 0.78 ADORA1 (0.67) MEN1KMT2AKDM4EMAPTADORA1
SCHEMBL135885 0.76 MEN1 (0.65) MEN1KMT2AKDM4EMAPTMAPK1
SCHEMBL9142756 0.74 MEN1 (0.56) MEN1KMT2AKDM4EMAPTTDP1
SCHEMBL20838883 0.73 MAPT (0.56) MEN1KMT2AKDM4EMAPTRECQL
SCHEMBL7685323 0.72 ALDH1A1 (0.53) MEN1KMT2AKDM4EMAPT
SCHEMBL5712947 0.72 MEN1 (0.62) MEN1KMT2AKDM4EMAPTTDP1

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