SCHEMBL7841358

SCHEMBL7841358

CCOC(=O)Cn1c(=O)c2c(CBr)c(-c3ccccc3)sc2n(Cc2ccccc2OC)c1=O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 9/20 0.46
LMNA P02545 3/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPK1 P28482 1/20 0.40
TP53 P04637 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL7855497 0.91 GNRHR (0.45) GNRHRLMNAALDH1A1SMN1; SMN2MAPK1
SCHEMBL7842945 0.88 GNRHR (0.51) GNRHR
SCHEMBL7850711 0.85 GNRHR (0.50) GNRHR
SCHEMBL7597266 0.84 GNRHR (0.42) GNRHRLMNAALDH1A1SMN1; SMN2MEN1
SCHEMBL7852099 0.84 GNRHR (0.52) GNRHRLMNAALDH1A1SMN1; SMN2MAPK1
SCHEMBL7857100 0.82 GNRHR (0.55) GNRHRALDH1A1MAPK1TP53MEN1
SCHEMBL7203152 0.80 GNRHR (0.48) GNRHRALDH1A1SMN1; SMN2KMT2A
SCHEMBL7591161 0.80 ADORA2B (0.40) GNRHRLMNAALDH1A1SMN1; SMN2TP53
SCHEMBL7591456 0.80 GNRHR (0.36) GNRHRLMNAALDH1A1SMN1; SMN2TP53
SCHEMBL7842941 0.79 CYP1A2 (0.47) LMNAALDH1A1CYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0640606-B1 Thienopyrimidine derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-11-07 EP disclosed
US-6140325-A HAS ENDOTHELIN ANTAGONISTIC ACTION; FOR TREATING LIVER HYPOFUNCTION, ACUTE RENAL INSUFFICIENCY, CARDIAC INFARCTION OR LIVER INSUFFICIENCY, VASOCONSTRICTION TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-10-31 US disclosed
EP-0640606-A1 Thienopyrimidine derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-03-01 EP disclosed