SCHEMBL7978348

SCHEMBL7978348

CCOC(=O)CN(c1ccc2c(c1)nc(Cc1ccc(C#N)cc1)c(=S)n2C)S(=O)(=O)c1cccc2cccnc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 6/20 0.53
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
PGGT1B P53609 1/20 0.40
GAA P10253 1/20 0.37
TSHR P16473 1/20 0.37
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
BRPF1 P55201 1/20 0.34
TUBB4A P04350 1/20 0.34
TUBB P07437 1/20 0.34
TUBA3C P0DPH7 1/20 0.34
TUBA1B P68363 1/20 0.34
TUBA4A P68366 1/20 0.34
TUBB4B P68371 1/20 0.34
TUBB3 Q13509 1/20 0.34
TUBB2A Q13885 1/20 0.34
TUBB8 Q3ZCM7 1/20 0.34
TUBA3E Q6PEY2 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
SCHEMBL7981133 0.93 F2 (0.53) F2FNTAFNTBPGGT1BGAA
SCHEMBL8138889 0.90 F2 (0.64) F2FNTAFNTBPGGT1BGAA
Hydrochloric Acid SCHEMBL7979750 0.88 F2 (0.67) F2GAATSHRALDH1A1
SCHEMBL6638786 0.87 F2 (0.65) F2FNTAFNTBPGGT1BGAA
SCHEMBL7430469 0.86 F2 (0.54) F2FNTAFNTBPGGT1BALDH1A1
SCHEMBL8026776 0.86 F2 (0.49) F2FNTAFNTBPGGT1BGAA
SCHEMBL6634947 0.85 F2 (0.54) F2FNTAFNTBPGGT1BGAA
SCHEMBL8026655 0.85 F2 (0.52) F2FNTAFNTBPGGT1BGAA
SCHEMBL6639246 0.85 F2 (0.67) F2FNTAFNTBPGGT1BGAA
SCHEMBL8026767 0.84 F2 (0.62) F2FNTAFNTBPGGT1BGAA

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