SCHEMBL7545563

SCHEMBL7545563

CCOC(=O)c1cnc2sc(-c3ccccc3)c(C)c2c1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.50
ALDH1A1 P00352 7/20 0.50
GRM6 O15303 5/20 0.50
GAA P10253 3/20 0.50
HPGD P15428 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
SMN1; SMN2 Q16637 5/20 0.49
LMNA P02545 1/20 0.49
MAPK1 P28482 1/20 0.49
ATM Q13315 1/20 0.49
RAB9A P51151 3/20 0.48
NPC1 O15118 2/20 0.48
TP53 P04637 1/20 0.48
KDM4E B2RXH2 2/20 0.46
CYP1A2 P05177 1/20 0.46
POLB P06746 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
NFKB1 P19838 1/20 0.45

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
SCHEMBL6822486 0.88 GRM6 (0.54) MAPTALDH1A1GRM6GAAHPGD
SCHEMBL7012400 0.85 MAPT (0.47) MAPTALDH1A1GAASMN1; SMN2RAB9A
SCHEMBL7519571 0.84 LIMK1 (0.49) MAPTALDH1A1GRM6GAAHPGD
SCHEMBL7008787 0.82 ALDH1A1 (0.52) MAPTALDH1A1GAAHPGDSMN1; SMN2
SCHEMBL11581714 0.81 KDM4E (0.48) MAPTALDH1A1GAAHPGDSMN1; SMN2
SCHEMBL7518124 0.81 LIMK1 (0.46) MAPTALDH1A1GRM6GAAHPGD
SCHEMBL7013153 0.80 ALDH1A1 (0.45) MAPTALDH1A1GAAHPGDNPSR1
SCHEMBL7013822 0.79 KDM4E (0.41) MAPTALDH1A1GAAHPGDLMNA
SCHEMBL1269832 0.79 GABRP (0.52) MAPTALDH1A1GAANPSR1SMN1; SMN2
SCHEMBL11666684 0.76 ALDH1A1 (0.64) MAPTALDH1A1HPGDSMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0781774-B1 Prolactin production inhibitory agents TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2002-07-31 EP disclosed
US-6015789-A LUTEINIZING HORMONE RELEASING HORMONE AGONIST AND A LUTEINIZING HORMONE RELEASING HORMONE ANTAGONIST IN COMBINATION, TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-01-18 US disclosed
US-5977132-A GALACTORRHEA, HYPERPROLACTINEMIC OVULATION, PROLACTINOMA AND BRAIN TUMORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-11-02 US disclosed
EP-0906115-A1 COMBINED USE OF GnRH AGONIST AND ANTAGONIST Takeda Chemical Industries, Ltd. (JP) 1999-04-07 EP disclosed
EP-0862573-A1 THIENOPYRIDINE DERIVATIVES AS GONADOTROPIN RELEASING HORMONE ANTAGONISTS Takeda Chemical Industries, Ltd. (JP) 1998-09-09 EP disclosed
US-5744479-A PITUITARY HORMONE INHIBITOR TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-04-28 US disclosed
WO-1997040846-A1 COMBINED USE OF GnRH AGONIST AND ANTAGONIST TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-11-06 WO disclosed
EP-0781774-A2 Prolactin production inhibitory agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-07-02 EP disclosed
WO-1997014697-A1 THIENOPYRIDINE DERIVATIVES AS GONADOTROPIN RELEASING HORMONE ANTAGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-04-24 WO disclosed