SCHEMBL7081322

SCHEMBL7081322

COc1ccc(NC(=S)N(Cc2ccccc2C(F)(F)F)C(=O)Cc2cncn2Cc2ccc(C#N)cc2)cn1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.42
CYP11B2 P19099 3/20 0.42
FNTA P49354 11/20 0.42
FNTB P49356 11/20 0.42
PGGT1B P53609 9/20 0.42
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41

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
SCHEMBL7075704 0.87 CYP11B1 (0.44) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8498742 0.86 CYP11B1 (0.39) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8498744 0.86 CYP11B1 (0.39) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL7081731 0.86 CYP11B1 (0.43) CYP11B1CYP11B2FNTAFNTBPGGT1B
Oxalic Acid SCHEMBL7080525 0.86 CYP11B1 (0.45) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL7084883 0.85 CYP11B1 (0.42) CYP11B1CYP11B2FNTAFNTBPGGT1B
Fumaric Acid SCHEMBL7077085 0.84 CYP11B1 (0.42) CYP11B1CYP11B2FNTAFNTBPGGT1B
Cadaverine Tartrate SCHEMBL7077587 0.84 CYP11B1 (0.42) CYP11B1CYP11B2FNTAFNTBPGGT1B
Citric Acid SCHEMBL7084202 0.82 CYP11B1 (0.40) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8486401 0.80 CYP11B1 (0.43) CYP11B1CYP11B2FNTAFNTBPGGT1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1200430-A4 THIOUREA AND ISOTHIOUREA DERIVATIVES FOR INHIBITING RAS-TRANSFORMED CELL GROWTH YUHAN CORP LTD (KR) 2003-01-22 EP disclosed
EP-1200430-A1 THIOUREA AND ISOTHIOUREA DERIVATIVES FOR INHIBITING RAS-TRANSFORMED CELL GROWTH YUHAN CORPORATION, LTD. (KR) 2002-05-02 EP disclosed
WO-2001009128-A1 THIOUREA AND ISOTHIOUREA DERIVATIVES FOR INHIBITING RAS-TRANSFORMED CELL GROWTH YUHAN CORPORATION (KR) 2001-02-08 WO disclosed