SCHEMBL8028889

SCHEMBL8028889

Cn1c(Cc2ccc(C#N)cc2)nc2cc(N(CCN3CCOCC3)S(=O)(=O)c3cccc4cccnc34)ccc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 8/20 0.57
FNTA P49354 1/20 0.41
FNTB P49356 1/20 0.41
PGGT1B P53609 1/20 0.41
RORC P51449 1/20 0.38
BRD4 O60885 1/20 0.38
CREBBP Q92793 1/20 0.38
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37
TUBA3C P0DPH7 1/20 0.37
TUBA1B P68363 1/20 0.37
TUBA4A P68366 1/20 0.37
TUBB4B P68371 1/20 0.37
TUBB3 Q13509 1/20 0.37
TUBB2A Q13885 1/20 0.37
TUBB8 Q3ZCM7 1/20 0.37
TUBA3E Q6PEY2 1/20 0.37
TUBA1A Q71U36 1/20 0.37
TUBA1C Q9BQE3 1/20 0.37
TUBB6 Q9BUF5 1/20 0.37

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
SCHEMBL8144799 0.89 F2 (0.61) F2FNTAFNTBPGGT1BRORC
SCHEMBL8026560 0.88 F2 (0.62) F2FNTAFNTBPGGT1BFABP1
Hydrochloric Acid SCHEMBL8031522 0.87 F2 (0.74) F2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL8016063 0.86 F2 (0.64) F2FNTAFNTBPGGT1BTUBB4A
SCHEMBL8028867 0.86 F2 (0.48) F2FNTAFNTBPGGT1BTUBB4A
SCHEMBL8026386 0.86 F2 (0.57) F2FNTAFNTBPGGT1BRORC
SCHEMBL8026767 0.84 F2 (0.62) F2FNTAFNTBPGGT1B
SCHEMBL8032314 0.83 F2 (0.63) F2FNTAFNTBPGGT1BTUBB4A
SCHEMBL8031785 0.82 F2 (0.66) F2FNTAFNTBPGGT1BHSD17B10
SCHEMBL8138889 0.81 F2 (0.64) F2FNTAFNTBPGGT1B

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-6114532-A ANTICOAGULANT BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-09-05 US disclosed