SCHEMBL7078460

SCHEMBL7078460

COc1ccc(NC(=S)N(CCc2cncn2Cc2ccc([N+](=O)[O-])cc2)Cc2ccccc2C(F)(F)F)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
POLB P06746 2/20 0.41
PABPC1 P11940 2/20 0.41
FNTA P49354 3/20 0.39
FNTB P49356 3/20 0.39
PGGT1B P53609 2/20 0.39
ALDH1A1 P00352 8/20 0.38
MAPT P10636 5/20 0.38
AGTR1 P30556 5/20 0.38
RAB9A P51151 5/20 0.38
SMN1; SMN2 Q16637 5/20 0.38
NPSR1 Q6W5P4 5/20 0.38
HTT P42858 4/20 0.38
MAPK1 P28482 4/20 0.38
PKM P14618 3/20 0.38
XBP1 P17861 2/20 0.38
GPR55 Q9Y2T6 1/20 0.38
LMNA P02545 3/20 0.36
OPRK1 P41145 3/20 0.36

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 0.88 CYP11B1 (0.44) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7081731 0.84 CYP11B1 (0.43) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7084883 0.83 CYP11B1 (0.42) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL28941385 0.83 FNTA (0.39) FNTAFNTBPGGT1BALDH1A1MAPK1
Oxalic Acid SCHEMBL7080525 0.82 CYP11B1 (0.45) FNTAFNTBPGGT1BCYP11B1CYP11B2
Fumaric Acid SCHEMBL7077085 0.81 CYP11B1 (0.42) FNTAFNTBPGGT1BCYP11B1CYP11B2
Cadaverine Tartrate SCHEMBL7077587 0.80 CYP11B1 (0.42) FNTAFNTBPGGT1BCYP11B1CYP11B2
Citric Acid SCHEMBL7084202 0.79 CYP11B1 (0.40) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7083060 0.78 FNTA (0.46) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7076590 0.78 CYP11B1 (0.43) MEN1KMT2AFNTAFNTBPGGT1B

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