Vindesine

SCHEMBL28212242

CC[C@]1(O)C[C@H]2C[N@](CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(N)=O)[C@H](O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1.O=S(=O)(O)O.O=S(=O)(O)O.S

nearest known ligand 0.95

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ADRA1A ADRA1B ADRA1D ADRA2A ADRA2B ADRA2C ADRB1 ADRB2 ADRB3 CALCRL CHRM1 CHRM2 CHRM3 F2R MAOA MAOB MAP2K1 MAP2K2 NTRK1 NTRK2 NTRK3 OPRD1 OPRK1 OPRM1 P2RY12 PKLR SCN10A SCN11A SCN1A SCN2A SCN3A SCN4A SCN5A SCN7A SCN8A SCN9A SLC18A2 SLC6A2 SLC6A3 TLR7 TLR9 TUBA1A TUBA1B TUBA1C TUBA3C TUBA3E TUBA4A TUBB TUBB1 TUBB2A TUBB2B TUBB3 TUBB4A TUBB4B TUBB6 TUBB8 dacA dacB dacC folA ftsI mrcA mrcB mrdA pol rplA rplB rplC rplD rplE rplF rplI rplJ rplK rplL rplM rplN rplO rplP rplQ rplR rplS rplT rplU rplV rplW rplX rplY rpmA rpmB rpmB1 rpmB2 rpmC rpmD rpmE rpmE2 rpmF rpmG rpmG1 rpmG2 rpmH rpmI rpmJ rpmJ2 rpsA rpsB rpsC rpsD rpsE rpsF rpsG rpsH rpsI rpsJ rpsK rpsL rpsM rpsN rpsO rpsP rpsQ rpsR rpsR1 rpsR2 rpsS rpsT rpsU rpsZ ykgM ykgO

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

Predicted protein targets (top 20)

	gene	UniProt	supporting neighbours	confidence
▸	TUBB4A known ✓	P04350	12/20	0.84

▸	TUBB known ✓	P07437	12/20	0.84

▸	TUBA3C known ✓	P0DPH7	12/20	0.84

▸	TUBA1B known ✓	P68363	12/20	0.84

▸	TUBA4A known ✓	P68366	12/20	0.84

▸	TUBB4B known ✓	P68371	12/20	0.84

▸	TUBB3 known ✓	Q13509	12/20	0.84

▸	TUBB2A known ✓	Q13885	12/20	0.84

▸	TUBB8 known ✓	Q3ZCM7	12/20	0.84

▸	TUBA3E known ✓	Q6PEY2	12/20	0.84

▸	TUBA1A known ✓	Q71U36	12/20	0.84

▸	TUBA1C known ✓	Q9BQE3	12/20	0.84

▸	TUBB6 known ✓	Q9BUF5	12/20	0.84

▸	TUBB2B known ✓	Q9BVA1	12/20	0.84

▸	TUBB1 known ✓	Q9H4B7	12/20	0.84

▸	MLNR	O43193	1/20	0.95

▸	PTGS2	P35354	1/20	0.95

▸	KCNH2	Q12809	1/20	0.95

▸	GHSR	Q92847	1/20	0.95

▸	MAPT	P10636	5/20	0.84

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.

Compound	similarity	top predicted	shared targets
Vindesine SCHEMBL4285	0.99	MLNR (0.96)	MLNRPTGS2KCNH2GHSRTUBB4A
Vindesine SCHEMBL28250735	0.99	MLNR (0.96)	MLNRPTGS2KCNH2GHSRTUBB4A
Vindesine SCHEMBL1650601	0.99	MLNR (0.96)	MLNRPTGS2KCNH2GHSRTUBB4A
Vindesine SCHEMBL29370847	0.99	MLNR (0.96)	MLNRPTGS2KCNH2GHSRTUBB4A
Vindesine SCHEMBL29895728	0.99	MLNR (0.96)	MLNRPTGS2KCNH2GHSRTUBB4A
Vindesine SCHEMBL28186617	0.99	MLNR (0.96)	MLNRPTGS2KCNH2GHSRTUBB4A
Vindesine SCHEMBL28177485	0.99	MLNR (0.96)	MLNRPTGS2KCNH2GHSRTUBB4A
Vindesine SCHEMBL16553307	0.99	MLNR (0.95)	MLNRPTGS2KCNH2GHSRTUBB4A
Vindesine SCHEMBL11481610	0.99	MLNR (0.95)	MLNRPTGS2KCNH2GHSRTUBB4A
Vindesine SCHEMBL15866615	0.97	MLNR (1.00)	MLNRPTGS2KCNH2GHSRTUBB4A

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

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
CN-109789146-A	chemokine receptor modulators and uses thereof	FLX生物公司	2019-05-21	—	—	CN	disclosed
CN-108883107-A	The method for the treatment of cancer	科尔沃斯制药股份有限公司	2018-11-23	—	—	CN	disclosed
CN-107847572-A	Vaccine for treatment of cancer and prevention	艾吉纳斯公司	2018-03-27	—	—	CN	disclosed