SCHEMBL7086180

SCHEMBL7086180

COc1ccc(NC(=S)N(CCc2cncn2Cc2ccc(C#N)cc2)Cc2cccn2C)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 7/20 0.47
CYP11B2 P19099 7/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
POLB P06746 2/20 0.47
KDM4E B2RXH2 1/20 0.47
TSHR P16473 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MAPT P10636 4/20 0.44
HTT P42858 4/20 0.44
KMT2A Q03164 3/20 0.44
NPSR1 Q6W5P4 3/20 0.44
MEN1 O00255 2/20 0.44
FNTA P49354 3/20 0.41
FNTB P49356 3/20 0.41
PGGT1B P53609 2/20 0.41
ALDH1A1 P00352 3/20 0.41
GAA P10253 1/20 0.41
LMNA P02545 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
SCHEMBL7084727 0.86 HTT (0.50) CYP11B1CYP11B2SMN1; SMN2MAPTHTT
SCHEMBL7084385 0.86 CYP11B1 (0.47) CYP11B1CYP11B2SMN1; SMN2POLBKDM4E
SCHEMBL7081858 0.84 CYP11B1 (0.47) CYP11B1CYP11B2SMN1; SMN2POLBKDM4E
SCHEMBL7086332 0.79 FNTA (0.44) CYP11B1CYP11B2SMN1; SMN2POLBKDM4E
SCHEMBL7084624 0.78 CYP11B1 (0.46) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL7082959 0.78 CYP11B1 (0.46) CYP11B1CYP11B2SMN1; SMN2MAPTHTT
SCHEMBL7082156 0.78 FNTA (0.47) CYP11B1CYP11B2MAPTKMT2ANPSR1
SCHEMBL7082963 0.77 CYP11B1 (0.46) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL7083060 0.77 FNTA (0.46) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL7083275 0.77 CYP11B1 (0.46) 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