SCHEMBL7082546

SCHEMBL7082546

O=[N+]([O-])c1ccc(Cn2cncc2CCNCc2cccc(Cl)c2Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 6/20 0.44
FNTB P49356 6/20 0.44
PGGT1B P53609 3/20 0.44
CYP1A2 P05177 1/20 0.40
GLA P06280 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP11B1 P15538 3/20 0.39
CYP11B2 P19099 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
NPBWR1 P48145 1/20 0.38
MCHR1 Q99705 1/20 0.38
P2RX7 Q99572 1/20 0.37
CYP19A1 P11511 1/20 0.37

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
SCHEMBL7082328 0.83 ALDH1A1 (0.45) FNTAFNTBPGGT1BMEN1KMT2A
SCHEMBL7082948 0.82 CYP11B1 (0.54) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7086424 0.79 POLB (0.45) FNTAFNTBPGGT1BCYP1A2GLA
SCHEMBL8495248 0.77 FNTA (0.40) FNTAFNTBPGGT1BMEN1KMT2A
SCHEMBL8495251 0.77 FNTA (0.40) FNTAFNTBPGGT1BMEN1KMT2A
SCHEMBL8495255 0.76 FNTA (0.40) FNTAFNTBPGGT1BMEN1KMT2A
SCHEMBL7077725 0.75 YES1 (0.41) FNTAFNTBPGGT1BCYP1A2CYP2C9
SCHEMBL7083742 0.74 MMP1 (0.44) FNTAFNTBPGGT1BMEN1KMT2A
SCHEMBL6968640 0.74 CYP1A2 (0.50) CYP1A2GLACYP3A4CYP2D6CYP2C9
SCHEMBL8343756 0.73 POLB (0.45) FNTAFNTBPGGT1BMEN1KMT2A

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