SCHEMBL8027587

SCHEMBL8027587

Cn1c(Cc2ccc(C(=N)N)cc2)nc2cc(S(=O)(=O)N3CCCC3)ccc21

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F2 P00734 16/20 0.60
THRB P10828 1/20 0.49
RECQL P46063 1/20 0.49
F10 P00742 4/20 0.48
PLG P00747 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 1/20 0.47
TSHR P16473 1/20 0.47
PRSS1 P07477 2/20 0.47
PRSS2 P07478 2/20 0.47
PRSS3 P35030 2/20 0.47
HTT P42858 1/20 0.47

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
Hydrochloric Acid SCHEMBL8016492 0.99 F2 (0.59) F2THRBRECQLF10PLG
Hydrochloric Acid SCHEMBL8015879 0.87 F2 (0.63) F2F10PLG
Hydrochloric Acid SCHEMBL8031690 0.83 F2 (0.72) F2
Hydrochloric Acid SCHEMBL8028807 0.83 F2 (0.56) F2F10PLGHTT
SCHEMBL8029840 0.82 SMN1; SMN2 (0.52) THRBRECQLL3MBTL1SMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL8027042 0.81 F2 (0.57) F2SMN1; SMN2LMNATSHRHTT
Hydrochloric Acid SCHEMBL8144019 0.80 THRB (0.46) F2THRBRECQLF10PLG
Hydrochloric Acid SCHEMBL8027431 0.80 F2 (0.49) F2F10PLG
Hydrochloric Acid SCHEMBL6779821 0.79 F2 (0.46) F2THRBRECQLL3MBTL1SMN1; SMN2
Hydrochloric Acid SCHEMBL8032991 0.79 F2 (0.65) F2RECQLF10

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-1060166-A1 FIVE-MEMBERED, BENZO-CONDENSED HETEROCYCLES USED AS ANTITHROMBOTIC AGENTS Boehringer Ingelheim Pharma KG (DE) 2000-12-20 EP claimed
US-6114532-A ANTICOAGULANT BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-09-05 US claimed
WO-1999040072-A1 FIVE-MEMBERED, BENZO-CONDENSED HETEROCYCLES USED AS ANTITHROMBOTIC AGENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 1999-08-12 WO claimed
EP-1060166-A1 FIVE-MEMBERED, BENZO-CONDENSED HETEROCYCLES USED AS ANTITHROMBOTIC AGENTS Boehringer Ingelheim Pharma KG (DE) 2000-12-20 EP disclosed
US-6114532-A ANTICOAGULANT BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-09-05 US disclosed
WO-1999040072-A1 FIVE-MEMBERED, BENZO-CONDENSED HETEROCYCLES USED AS ANTITHROMBOTIC AGENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 1999-08-12 WO disclosed