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SCHEMBL9439643

SCHEMBL9439643

CCOC(=O)CC[C@H](NC(=O)CCCCCCC1CNc2nc(N)nc(N)c21)C(=O)OCC

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.55
▸ POLB P06746 1/20 0.51
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ DHFR P00374 3/20 0.41
▸ NOD1 Q9Y239 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38

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
SCHEMBL9439648 1.00 KMT2A (0.55) KMT2APOLBL3MBTL1DHFRNOD1
SCHEMBL8997237 0.82 DHFR (0.50) L3MBTL1DHFRKDM4EALDH1A1HPGD
SCHEMBL8997230 0.82 DHFR (0.50) L3MBTL1DHFRKDM4EALDH1A1HPGD
SCHEMBL9439714 0.82 GART (0.46) —
SCHEMBL9439835 0.82 GART (0.46) —
SCHEMBL9439730 0.82 DHFR (0.43) L3MBTL1DHFRKDM4EALDH1A1HPGD
SCHEMBL9439735 0.82 DHFR (0.43) L3MBTL1DHFRKDM4EALDH1A1HPGD
SCHEMBL9439737 0.81 GART (0.45) —
SCHEMBL9041263 0.79 DHFR (0.50) L3MBTL1DHFRKDM4EALDH1A1HPGD
SCHEMBL9041638 0.79 DHFR (0.48) L3MBTL1DHFRKDM4EALDH1A1HPGD

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-5354754-A Antitumor and -carcinogenic agents; treating human epidermoid carcinoma KB TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-10-11 — — US disclosed