SCHEMBL16057286

SCHEMBL16057286

O=C(NCCCCNc1nc(Cl)ncc1Br)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.50
BRD4 O60885 3/20 0.49
KEAP1 Q14145 2/20 0.49
NFE2L2 Q16236 2/20 0.49
TGM2 P21980 1/20 0.48
SIRT5 Q9NXA8 1/20 0.48
STK17B O94768 1/20 0.47
STK17A Q9UEE5 1/20 0.47
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ANPEP P15144 1/20 0.44
TBK1 Q9UHD2 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
FOLH1 Q04609 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC8 Q9BY41 1/20 0.42

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
SCHEMBL5149463 0.99 TGM2 (0.50) HTTBRD4KEAP1NFE2L2TGM2
SCHEMBL1284434 0.98 SIRT5 (0.50) HTTBRD4KEAP1NFE2L2TGM2
SCHEMBL27087948 0.81 LMNA (0.54) HTTKEAP1NFE2L2TGM2LMNA
SCHEMBL3863540 0.79 SIRT5 (0.53) HTTBRD4KEAP1NFE2L2TGM2
SCHEMBL1284430 0.79 STK17B (0.46) HTTBRD4KEAP1NFE2L2TGM2
SCHEMBL1284433 0.79 STK17B (0.46) HTTBRD4KEAP1NFE2L2TGM2
SCHEMBL5151442 0.78 TBK1 (0.57) TGM2SIRT5STK17ATBK1
SCHEMBL16055893 0.78 BRD4 (0.44) HTTBRD4KEAP1NFE2L2TGM2
SCHEMBL6212947 0.78 APP (0.48) SIRT5STK17BSTK17ALMNATBK1
SCHEMBL15285605 0.78 SYK (0.51) LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3191098-A1 COMBINATIONS AND DOSING REGIMES TO TREAT RB-POSITIVE TUMORS G1 Therapeutics, Inc. (US) 2017-07-19 EP disclosed
WO-2016040848-A1 TREATMENT OF RB-NEGATIVE TUMORS USING TOPOISOMERASE INHIBITORS IN COMBINATION WITH CYCLIN DEPENDENT KINASE 4/6 INHIBITORS G1 THERAPEUTICS, INC. (US) 2016-03-17 WO disclosed
WO-2016040858-A1 COMBINATIONS AND DOSING REGIMES TO TREAT RB-POSITIVE TUMORS G1 THERAPEUTICS, INC. (US) 2016-03-17 WO disclosed
EP-2967050-A2 HIGHLY ACTIVE ANTI-NEOPLASTIC AND ANTI-PROLIFERATIVE AGENTS G1 Therapeutics, Inc. (US) 2016-01-20 EP disclosed
EP-2968290-A1 TRANSIENT PROTECTION OF NORMAL CELLS DURING CHEMOTHERAPY G1 Therapeutics, Inc. (US) 2016-01-20 EP disclosed
EP-2968291-A2 HSPC-SPARING TREATMENTS FOR RB-POSITIVE ABNORMAL CELLULAR PROLIFERATION G1 Therapeutics, Inc. (US) 2016-01-20 EP disclosed
WO-2014144740-A2 HIGHLY ACTIVE ANTI-NEOPLASTIC AND ANTI-PROLIFERATIVE AGENTS G1 THERAPEUTICS, INC. (US) 2014-09-18 WO disclosed
WO-2014144847-A2 HSPC-SPARING TREATMENTS FOR RB-POSITIVE ABNORMAL CELLULAR PROLIFERATION G1 THERAPEUTICS, INC. (US) 2014-09-18 WO disclosed
WO-2014144326-A1 TRANSIENT PROTECTION OF NORMAL CELLS DURING CHEMOTHERAPY G1 THERAPEUTICS, INC. (US) 2014-09-18 WO disclosed