SCHEMBL6678474

SCHEMBL6678474

Cc1ccc(NC(N)=S)cc1CN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
GAA P10253 2/20 0.39
CYP1A2 P05177 1/20 0.38
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA9 Q16790 1/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
USP2 O75604 1/20 0.35
ALOX15 P16050 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CNR2 P34972 2/20 0.35
GRM2 Q14416 1/20 0.35
CNR1 P21554 1/20 0.34
CYP3A4 P08684 1/20 0.34

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
SCHEMBL6675695 0.90 ALDH1A1 (0.39) ALDH1A1GAACYP1A2KMT2ASMN1; SMN2
SCHEMBL6678436 0.89 ALDH1A1 (0.40) ALDH1A1GAAKMT2APOLBHPGD
SCHEMBL6681804 0.89 GRM2 (0.38) ALDH1A1GAACYP1A2KMT2ASMN1; SMN2
SCHEMBL6682248 0.88 ALDH1A1 (0.40) ALDH1A1GAACYP1A2KMT2ASMN1; SMN2
SCHEMBL6676380 0.88 ALDH1A1 (0.37) ALDH1A1GAACYP1A2KMT2AMEN1
SCHEMBL6676359 0.86 ALDH1A1 (0.36) ALDH1A1GAACYP1A2KMT2AMEN1
SCHEMBL6679793 0.85 ALDH1A1 (0.35) ALDH1A1GAACYP1A2KMT2ASMN1; SMN2
SCHEMBL6676774 0.85 ALDH1A1 (0.35) ALDH1A1GAACYP1A2KMT2ASMN1; SMN2
SCHEMBL6675178 0.84 KDM4E (0.44) ALDH1A1GAAKMT2AMEN1SMN1; SMN2
SCHEMBL7739635 0.84 ALDH1A1 (0.37) ALDH1A1GAACYP1A2KMT2AMEN1

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-0798292-B1 ANILINE DERIVATIVES HAVING NITROGEN MONOXIDE SYNTHASE INHIBITORY ACTIVITY CHUGAI SEIYAKUKABUSHIKI KAISHA (JP) 2004-11-03 EP disclosed
US-6534546-B1 Guanidine- or isothioureido-N-derived anilines; brain, nervous system, and neurodegenerative disorders CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-03-18 US disclosed
EP-0798292-A1 ANILINE DERIVATIVES HAVING NITROGEN MONOXIDE SYNTHASE INHIBITORY ACTIVITY Chugai Seiyaku Kabushiki Kaisha (JP) 1997-10-01 EP disclosed