SCHEMBL6503160

SCHEMBL6503160

COC(=O)[C@H](CCSC)NC(=O)c1cc(N)ccc1CCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.50
FNTA P49354 6/20 0.49
FNTB P49356 6/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
TSHR P16473 1/20 0.47
TAS1R3 Q7RTX0 2/20 0.47
TAS1R1 Q7RTX1 2/20 0.47
APOBEC3G Q9HC16 1/20 0.46
GAA P10253 1/20 0.46
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
CNR1 P21554 2/20 0.45
CNR2 P34972 2/20 0.45

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
SCHEMBL6381218 0.91 FNTA (0.51) FNTAFNTBTDP1TSHRALDH1A1
SCHEMBL629151 0.81 FNTA (0.67) KMT2AFNTAFNTBTDP1L3MBTL1
SCHEMBL6387223 0.81 FNTA (0.50) FNTAFNTBTDP1ALDH1A1
SCHEMBL629135 0.81 FNTA (0.67) KMT2AFNTAFNTBTDP1L3MBTL1
Hydrochloric Acid SCHEMBL5935190 0.81 FNTA (0.66) KMT2AFNTAFNTBTDP1L3MBTL1
Hydrochloric Acid SCHEMBL5935191 0.81 FNTA (0.66) KMT2AFNTAFNTBTDP1L3MBTL1
SCHEMBL6503164 0.78 ITGB2 (0.39) KMT2AFNTAFNTBALDH1A1
SCHEMBL6777600 0.77 FNTA (0.62) FNTAFNTBTDP1TAS1R3TAS1R1
SCHEMBL6777598 0.77 FNTA (0.62) FNTAFNTBTDP1TAS1R3TAS1R1
Hydrochloric Acid SCHEMBL6775701 0.76 FNTA (0.61) FNTAFNTBTDP1TAS1R3TAS1R1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6946468-B1 3-mercaptopyrrolidines as farnesyl protein transferase inhibitors ZENECA LIMITED (GB) 2005-09-20 US disclosed