SCHEMBL6200673

SCHEMBL6200673

O=C(NCc1ccc(Cl)cc1)c1cnc2ccc(CCCO[PH](=O)OCCCc3ccc4ncc(C(=O)NCc5ccc(Cl)cc5)c(O)c4c3)cc2c1O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLA1 P09884 2/20 0.41
EGLN1 Q9GZT9 1/20 0.41
NR3C1 P04150 1/20 0.40
POLB P06746 1/20 0.39
MAOB P27338 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
LMNA P02545 2/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TUBB P07437 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL6198701 0.94 POLA1 (0.41) POLA1EGLN1NR3C1POLBMAOB
SCHEMBL6199591 0.92 NR3C1 (0.38) POLA1EGLN1NR3C1POLBCYP1A2
SCHEMBL6197282 0.87 EGLN1 (0.41) POLA1EGLN1NR3C1POLBMAOB
SCHEMBL6199600 0.86 EGLN1 (0.45) POLA1EGLN1NR3C1POLBMAOB
SCHEMBL6202008 0.85 EGLN1 (0.41) POLA1EGLN1NR3C1CYP1A2CYP2C9
SCHEMBL6198303 0.83 EGLN1 (0.43) POLA1EGLN1NR3C1POLBMAOB
SCHEMBL6200817 0.83 NR3C1 (0.49) POLA1EGLN1NR3C1POLBMAOB
SCHEMBL6198849 0.82 EGLN1 (0.51) POLA1EGLN1NR3C1POLBMAOB
SCHEMBL6200824 0.82 EGLN1 (0.48) POLA1EGLN1NR3C1POLBMAOB
SCHEMBL6682523 0.81 EGLN1 (0.38) POLA1EGLN1NR3C1POLBHPGD

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