SCHEMBL7984703

SCHEMBL7984703

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

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F2 P00734 14/20 0.64
F10 P00742 11/20 0.64
PLG P00747 7/20 0.64
PRSS1 P07477 2/20 0.49
PRSS2 P07478 2/20 0.49
PRSS3 P35030 2/20 0.49
ITK Q08881 2/20 0.35
SCN7A Q01118 1/20 0.35
KCNH2 Q12809 1/20 0.35
RORC P51449 1/20 0.35
PANK3 Q9H999 1/20 0.35
KDM1A O60341 1/20 0.34

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
SCHEMBL7977870 0.84 F2 (0.56) F2F10PLGPRSS1PRSS2
SCHEMBL7967842 0.82 F2 (0.53) F2F10PLGPRSS1PRSS2
SCHEMBL4442315 0.79 F2 (0.59) F2F10PLGPRSS1PRSS2
SCHEMBL4442309 0.79 F2 (0.59) F2F10PLGPRSS1PRSS2
SCHEMBL7413176 0.79 F2 (0.40) F2F10PLGITKSCN7A
SCHEMBL7980030 0.78 F2 (1.00) F2F10PLGPRSS1PRSS2
Hydrochloric Acid SCHEMBL7424485 0.78 F2 (0.98) F2F10PLGPRSS1PRSS2
Hydrochloric Acid SCHEMBL7982042 0.77 F2 (0.98) F2F10PLGPRSS1PRSS2
SCHEMBL7426210 0.76 F2 (0.46) F2F10PLGPRSS1PRSS2
SCHEMBL7978111 0.75 F2 (0.44) F2F10PLGPRSS1PRSS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6200976-B1 FOR TREATING THROMBOSIS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-03-13 US disclosed