SCHEMBL7089704

SCHEMBL7089704

COC(=O)[C@H](CCSC)NC(=O)c1cn(CCCc2ncc[nH]2)cc1-c1cccc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.47
CNR1 P21554 2/20 0.46
CNR2 P34972 2/20 0.46
FNTA P49354 13/20 0.44
FNTB P49356 13/20 0.44
PGGT1B P53609 1/20 0.44
APOBEC3G Q9HC16 1/20 0.42

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
SCHEMBL6928653 0.86 CNR2 (0.47) KMT2ACNR1CNR2FNTAFNTB
SCHEMBL6928598 0.80 KMT2A (0.47) KMT2ACNR1CNR2FNTAFNTB
SCHEMBL6985096 0.79 FNTA (0.48) KMT2AFNTAFNTBPGGT1B
SCHEMBL6982177 0.73 FNTA (0.51) KMT2AFNTAFNTBPGGT1B
SCHEMBL6978130 0.70 FNTA (0.61) FNTAFNTBPGGT1B
SCHEMBL8790433 0.69 KMT2A (0.60) KMT2ACNR1CNR2FNTAFNTB
SCHEMBL7848067 0.69 KMT2A (0.60) KMT2ACNR1CNR2FNTAFNTB
SCHEMBL6776503 0.68 FNTA (0.85) KMT2AFNTAFNTBPGGT1B
SCHEMBL6776500 0.68 FNTA (0.85) KMT2AFNTAFNTBPGGT1B
SCHEMBL6894513 0.66 FNTA (0.53) KMT2AFNTAFNTBPGGT1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1045846-B1 IMIDAZOLE DERIVATIVES HAVING AN INHIBITORY ACTIVITY FOR FARNESYL TRANSFERASE AND PROCESS FOR PREPARATION THEREOF LG CHEMICAL LTD (KR) 2003-05-02 EP claimed
US-6268363-B1 ANTITUMOR LG CHEMICAL LTD. (KR) 2001-07-31 US claimed