SCHEMBL7086332

SCHEMBL7086332

COc1ccc(NC(=S)N(Cc2ccccc2C(F)(F)F)Cc2cncn2Cc2ccc(C#N)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FNTA P49354 7/20 0.44
FNTB P49356 7/20 0.44
PGGT1B P53609 6/20 0.44
CYP11B1 P15538 3/20 0.43
CYP11B2 P19099 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL8486401 0.88 CYP11B1 (0.43) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8486406 0.88 CYP11B1 (0.43) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8493626 0.88 CYP11B1 (0.41) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8498592 0.86 CYP11B1 (0.40) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8498589 0.86 CYP11B1 (0.40) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7079751 0.84 CYP11B1 (0.46) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7075704 0.84 CYP11B1 (0.44) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7085199 0.84 CYP11B1 (0.46) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7086535 0.83 CYP11B1 (0.48) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7081731 0.83 CYP11B1 (0.43) FNTAFNTBPGGT1BCYP11B1CYP11B2

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