SCHEMBL6805004

SCHEMBL6805004

O=C1NCCc2cc(Br)c(O)c(c2)Oc2ccc(cc2Br)CCNC(=O)/C(=N/O)Cc2cc(Br)c(O)c(c2)Oc2ccc(cc2Br)C/C1=N\O

nearest known ligand 0.77

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
Bastadin 20 SCHEMBL6796056 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)
SCHEMBL3727752 0.47 PARP10 (0.42)
SCHEMBL17018289 0.47 MAPT (0.43)
SCHEMBL2983127 0.47 FABP6 (0.67)

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