SCHEMBL7082328

SCHEMBL7082328

O=[N+]([O-])c1ccc(Cn2cncc2CCNCc2ccccc2C(F)(F)F)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
MAPK1 P28482 1/20 0.45
FNTA P49354 5/20 0.42
FNTB P49356 5/20 0.42
PGGT1B P53609 2/20 0.42
GAA P10253 1/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 1/20 0.40
CYP11B1 P15538 5/20 0.38
CYP11B2 P19099 5/20 0.38
KDM4E B2RXH2 1/20 0.36
P2RX7 Q99572 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP19A1 P11511 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35
CDC25C P30307 1/20 0.35

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
SCHEMBL27580274 0.83 ALDH1A1 (0.40) ALDH1A1MAPK1FNTAFNTBPGGT1B
SCHEMBL7082546 0.83 FNTA (0.44) FNTAFNTBPGGT1BKMT2AMEN1
SCHEMBL7081202 0.79 POLB (0.47) ALDH1A1FNTAFNTBPGGT1BKMT2A
SCHEMBL27559593 0.77 ALDH1A1 (0.39) ALDH1A1MAPK1FNTAFNTBPGGT1B
SCHEMBL7081814 0.74 SCN8A (0.44) ALDH1A1KMT2AMEN1KDM4EP2RX7
SCHEMBL7078383 0.73 FNTA (0.53) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7078460 0.72 MEN1 (0.41) ALDH1A1MAPK1FNTAFNTBPGGT1B
SCHEMBL8343756 0.71 POLB (0.45) ALDH1A1MAPK1FNTAFNTBPGGT1B
SCHEMBL8496319 0.71 FNTA (0.46) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8170527 0.70 CYP11B1 (0.58) ALDH1A1FNTAFNTBPGGT1BKMT2A

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 4 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
CN-1376155-A Thiourea and isothiourea derivatives for inhibiting RAS-transformed cell growth YUHAN CORP (KR) 2002-10-23 CN 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