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Bastadin 20

Bastadin 20

SCHEMBL6796056

O=C1NCCc2ccc(c(Br)c2)Oc2cc(cc(Br)c2O)CCNC(=O)/C(=N/O)Cc2cc(Br)c(O)c(c2)Oc2ccc(cc2Br)C/C1=N\O

nearest known ligand 0.77

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 1/20 0.77
▸ EGFR P00533 1/20 0.77
▸ ERBB2 P04626 1/20 0.77
▸ CDK4 P11802 1/20 0.77
▸ CCND1 P24385 1/20 0.77
▸ FLT3 P36888 1/20 0.77
▸ MAP3K8 P41279 1/20 0.77
▸ AURKB Q96GD4 1/20 0.77
▸ RYR1 P21817 10/20 0.73
▸ FKBP1A P62942 8/20 0.66

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
SCHEMBL6805004 1.00 AURKA (0.77) AURKAEGFRERBB2CDK4CCND1
Bastadin 7 SCHEMBL4338482 0.89 RYR1 (0.92) AURKAEGFRERBB2CDK4CCND1
SCHEMBL20365680 0.53 RYR1 (0.55) RYR1FKBP1A
SCHEMBL31443844 0.51 PARP10 (0.56) —
SCHEMBL7977984 0.49 TUBB4A (0.60) AURKACDK4CCND1FLT3AURKB
SCHEMBL11180783 0.48 MEN1 (0.39) RYR1FKBP1A
SCHEMBL7262152 0.48 CRBN (0.46) —
SCHEMBL2983127 0.47 FABP6 (0.67) —
SCHEMBL17018289 0.47 MAPT (0.43) —
SCHEMBL3727752 0.47 PARP10 (0.42) —

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-6734211-B1 FOR STIMULATING NERVE CELL GROWTH IN A SUBJECT COMPRISING ADMINISTERING TO THE SUBJECT A BASTADIN COMPOUND OR ITS ANALOGS OREGON HEALTH & SCIENCES UNIVERSITY 2004-05-11 — — US disclosed
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