SCHEMBL7082545

SCHEMBL7082545

COCCCSN(CCCc1cncn1Cc1ccc(C#N)cc1)C(=O)NCc1ccccc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 4/20 0.47
CYP11B2 P19099 4/20 0.47
FNTA P49354 11/20 0.43
FNTB P49356 11/20 0.43
PGGT1B P53609 6/20 0.43
KLKB1 P03952 1/20 0.42
KCNH2 Q12809 1/20 0.40

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
SCHEMBL7082542 0.80 CYP11B1 (0.45) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL7086539 0.79 CYP11B1 (0.49) CYP11B1CYP11B2FNTAFNTBPGGT1B
Oxalic Acid SCHEMBL7080520 0.77 CYP11B1 (0.46) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL7077286 0.76 CYP11B1 (0.44) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL7084695 0.76 CYP11B1 (0.47) CYP11B1CYP11B2FNTAFNTBPGGT1B
Maleic Acid SCHEMBL7077075 0.76 CYP11B1 (0.42) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL7077643 0.76 CYP11B1 (0.47) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL7079394 0.76 CYP11B1 (0.45) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL7083802 0.76 CYP11B1 (0.46) CYP11B1CYP11B2FNTAFNTBPGGT1B
Cadaverine Tartrate SCHEMBL7077575 0.76 CYP11B1 (0.42) 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