SCHEMBL7085215

SCHEMBL7085215

N#Cc1ccc(Cn2cncc2CCN(Cc2c[nH]c3ccccc23)C(=S)NCCc2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FNTA P49354 12/20 0.43
FNTB P49356 12/20 0.43
PGGT1B P53609 11/20 0.43
KCNH2 Q12809 1/20 0.43
CYP11B1 P15538 3/20 0.43
CYP11B2 P19099 3/20 0.43
HAT1 O14929 2/20 0.40
EP300 Q09472 2/20 0.40
ACHE P22303 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
SCHEMBL7086387 0.83 CYP11B1 (0.44) FNTAFNTBPGGT1BKCNH2CYP11B1
SCHEMBL7080044 0.82 CYP11B1 (0.48) FNTAFNTBPGGT1BKCNH2CYP11B1
SCHEMBL7077133 0.82 CYP11B1 (0.43) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7079850 0.78 CYP11B1 (0.45) FNTAFNTBPGGT1BKCNH2CYP11B1
SCHEMBL7084478 0.76 CYP11B1 (0.47) FNTAFNTBPGGT1BKCNH2CYP11B1
SCHEMBL7084695 0.74 CYP11B1 (0.47) FNTAFNTBPGGT1BKCNH2CYP11B1
SCHEMBL7081717 0.73 CYP11B1 (0.46) FNTAFNTBPGGT1BKCNH2CYP11B1
SCHEMBL7200153 0.73 CYP11B1 (0.41) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7081227 0.73 CYP11B1 (0.45) FNTAFNTBPGGT1BKCNH2CYP11B1
SCHEMBL7079751 0.72 CYP11B1 (0.46) FNTAFNTBPGGT1BKCNH2CYP11B1

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