SCHEMBL7355195

SCHEMBL7355195

CCOC(=O)CN(c1ccc2c(c1)c(C(=O)Cc1ccc(C#N)cc1)cn2C)S(=O)(=O)c1cccc2cccnc12

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F2 P00734 5/20 0.42
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
PGGT1B P53609 1/20 0.40
GAA P10253 1/20 0.39
TSHR P16473 1/20 0.39
ALDH1A1 P00352 2/20 0.37
PKM P14618 1/20 0.35
PTPN2 P17706 1/20 0.35
PTPN1 P18031 1/20 0.35
STAT3 P40763 1/20 0.35
PTPRS Q13332 1/20 0.35
HCRTR2 O43614 1/20 0.35
MAPT P10636 2/20 0.35
TP53 P04637 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
ELANE P08246 1/20 0.34
KDR P35968 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
SCHEMBL7356407 0.90 ALDH1A1 (0.44) F2FNTAFNTBPGGT1BGAA
Hydrochloric Acid SCHEMBL7360424 0.88 F2 (0.55) F2GAATSHRALDH1A1PKM
SCHEMBL7351436 0.85 F2 (0.44) F2FNTAFNTBPGGT1BGAA
SCHEMBL7355762 0.83 HCRTR2 (0.36) F2FNTAFNTBPTPN2PTPN1
SCHEMBL7353216 0.82 F2 (0.58) F2GAATSHRALDH1A1PKM
SCHEMBL8026776 0.82 F2 (0.49) F2FNTAFNTBPGGT1BGAA
SCHEMBL8138889 0.81 F2 (0.64) F2FNTAFNTBPGGT1BGAA
SCHEMBL6635727 0.81 F2 (0.49) F2FNTAFNTBPGGT1BGAA
SCHEMBL7981133 0.81 F2 (0.53) F2FNTAFNTBPGGT1BGAA
SCHEMBL6638786 0.81 F2 (0.65) 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
WO-1999028297-A1 SUBSTITUTED INDOLES, HAVING A THROMBIN INHIBITING EFFECT BOEHRINGER INGELHEIM PHARMA KG (DE) 1999-06-10 WO disclosed