Todralazine

Todralazine

SCHEMBL29673003

CCOC(=O)NNc1nncc2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 1.00
CYP1A2 P05177 2/20 1.00
CYP2D6 P10635 2/20 1.00
HIF1A Q16665 1/20 1.00
TDP1 Q9NUW8 2/20 0.97
EGFR P00533 8/20 0.60
KDR P35968 8/20 0.60
ALDH1A1 P00352 4/20 0.60
GAA P10253 3/20 0.56
HPGD P15428 1/20 0.47
KDM4E B2RXH2 3/20 0.47
RAB9A P51151 3/20 0.47
TP53 P04637 2/20 0.47
CYP3A4 P08684 2/20 0.47
GOT1 P17174 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MPO P05164 2/20 0.47
NPC1 O15118 2/20 0.47
PKM P14618 1/20 0.47
MAOA P21397 1/20 0.47

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
Todralazine SCHEMBL49644 1.00 LMNA (1.00) LMNACYP1A2CYP2D6HIF1ATDP1
Todralazine SCHEMBL211261 0.99 TDP1 (1.00) LMNACYP1A2CYP2D6HIF1ATDP1
Todralazine SCHEMBL1417412 0.97 TDP1 (0.97) LMNACYP1A2CYP2D6HIF1ATDP1
SCHEMBL31506911 0.80 LMNA (0.67) LMNACYP1A2CYP2D6HIF1ATDP1
SCHEMBL12106741 0.77 LMNA (0.62) LMNACYP1A2CYP2D6HIF1ATDP1
SCHEMBL14543960 0.77 EGFR (0.63) LMNACYP1A2CYP2D6HIF1ATDP1
SCHEMBL12765309 0.77 LMNA (0.61) LMNACYP1A2CYP2D6HIF1ATDP1
SCHEMBL28900093 0.74 NPC1 (0.71) LMNACYP1A2CYP2D6HIF1ATDP1
SCHEMBL8842155 0.74 CYP1A2 (0.58) LMNACYP1A2CYP2D6HIF1ATDP1
SCHEMBL18607384 0.74 LMNA (0.58) LMNACYP1A2CYP2D6HIF1ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11814673-B2 Cardiovascular disease GENINCODE PLC (GB) 2023-11-14 US disclosed
CN-114561277-A Methods and devices for conditioning cell populations for cell therapy 得克萨斯州大学系统董事会 2022-05-31 CN disclosed