SCHEMBL6202310

SCHEMBL6202310

NCCCCC(N)C(=O)OC#CCc1ccc2ncc(C(=O)NCc3ccc(Cl)cc3)c(O)c2c1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.35
NR3C1 P04150 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
POLA1 P09884 2/20 0.34
HPGD P15428 2/20 0.33
CYP1A1 P04798 1/20 0.33
POLB P06746 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
MAPT P10636 1/20 0.33
LMNA P02545 2/20 0.33
MAOB P27338 1/20 0.33
THRB P10828 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL6202848 0.85 EGLN1 (0.36) EGLN1NR3C1SMN1; SMN2
Trifluoroacetic Acid SCHEMBL6199883 0.81 EGLN1 (0.37) EGLN1LMNA
SCHEMBL6220077 0.77 EGLN1 (0.45) EGLN1NR3C1SMN1; SMN2POLA1HPGD
SCHEMBL6200217 0.77 EGLN1 (0.45) EGLN1NR3C1SMN1; SMN2POLA1HPGD
SCHEMBL6201997 0.76 EGLN1 (0.37) EGLN1NR3C1POLA1HPGDCYP1A1
SCHEMBL6198849 0.75 EGLN1 (0.51) EGLN1NR3C1SMN1; SMN2POLA1HPGD
SCHEMBL6200824 0.74 EGLN1 (0.48) EGLN1NR3C1SMN1; SMN2POLA1HPGD
SCHEMBL6197455 0.74 NR3C1 (0.44) EGLN1NR3C1POLA1HPGDPOLB
SCHEMBL6196605 0.73 EGLN1 (0.47) EGLN1NR3C1SMN1; SMN2POLA1HPGD
SCHEMBL6194761 0.73 POLA1 (0.54) EGLN1NR3C1SMN1; SMN2POLA1HPGD

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
EP-1042295-B1 4-HYDROXYQUINOLINE-3-CARBOXAMIDES AND HYDRAZIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN CO LLC (US) 2005-09-07 EP disclosed
US-6093732-A PREVENT HERPESVIRAL INFECTIONS, PARTICULARLY, HUMAN CYTOMEGALOVIRAL INFECTION PHARMACIA & UPJOHN COMPANY (US) 2000-07-25 US disclosed