Vinorelbine

Vinorelbine

SCHEMBL18220724

CCC1=C[C@H]2C[N@](C1)Cc1c([nH]c3ccccc13)C(C(=O)OC)(c1cc3c(cc1OC)N(C)[C@H]1[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]4(CC)C=CCN5CC[C@]31[C@H]54)C2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8

The experimentally established mechanism targets of Vinorelbine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A known ✓ P04350 7/20 1.00
TUBB known ✓ P07437 7/20 1.00
TUBA3C known ✓ P0DPH7 7/20 1.00
TUBA1B known ✓ P68363 7/20 1.00
TUBA4A known ✓ P68366 7/20 1.00
TUBB4B known ✓ P68371 7/20 1.00
TUBB3 known ✓ Q13509 7/20 1.00
TUBB2A known ✓ Q13885 7/20 1.00
TUBB8 known ✓ Q3ZCM7 7/20 1.00
TUBA3E known ✓ Q6PEY2 7/20 1.00
TUBA1A known ✓ Q71U36 7/20 1.00
TUBA1C known ✓ Q9BQE3 7/20 1.00
TUBB6 known ✓ Q9BUF5 7/20 1.00
TUBB2B known ✓ Q9BVA1 7/20 1.00
TUBB1 known ✓ Q9H4B7 7/20 1.00
MEN1 O00255 5/20 1.00
KMT2A Q03164 5/20 1.00
CYP3A4 P08684 5/20 1.00
TACR2 P21452 1/20 1.00
OPRM1 P35372 1/20 1.00

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
Vinorelbine SCHEMBL12277732 1.00 TUBB4A (1.00) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
Vinorelbine SCHEMBL16786345 1.00 TUBB4A (1.00) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
Vinorelbine SCHEMBL13575786 1.00 TUBB4A (1.00) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
Vinorelbine SCHEMBL13524297 1.00 TUBB4A (1.00) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
Vinorelbine SCHEMBL4765 1.00 TUBB4A (1.00) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
Vinorelbine SCHEMBL10018526 1.00 TUBB4A (1.00) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
Vinorelbine SCHEMBL23077835 1.00 TUBB4A (1.00) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
Vinorelbine SCHEMBL1653160 1.00 TUBB4A (1.00) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
Vinorelbine SCHEMBL21610430 1.00 TUBB4A (1.00) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
Vinorelbine SCHEMBL15113116 1.00 TUBB4A (1.00) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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
WO-2016179481-A1 CANCER TREATMENT VIA REPOSITIONED TRICYCLIC ANTI-DEPRESSANT-LIKE DRUGS AS ANTI-CANCER AGENTS AND NEW COMBINATIONS OF SUCH DRUGS CARDELLI JAMES ALLEN (US) 2016-11-10 WO disclosed