SCHEMBL9385482

SCHEMBL9385482

O=c1cc(-c2ccccn2)[nH]c2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.58
CTSV O60911 5/20 0.58
CTSL P07711 5/20 0.58
LMNA P02545 5/20 0.58
KDM4E B2RXH2 4/20 0.58
TUBB4A P04350 1/20 0.58
TP53 P04637 1/20 0.58
TUBB P07437 1/20 0.58
TUBA3C P0DPH7 1/20 0.58
TUBA1B P68363 1/20 0.58
TUBA4A P68366 1/20 0.58
TUBB4B P68371 1/20 0.58
TUBB3 Q13509 1/20 0.58
TUBB2A Q13885 1/20 0.58
TUBB8 Q3ZCM7 1/20 0.58
TUBA3E Q6PEY2 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
TUBA1A Q71U36 1/20 0.58
HSD17B10 Q99714 1/20 0.58
TUBA1C Q9BQE3 1/20 0.58

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
SCHEMBL12090863 0.77 CTSV (0.56) HPGDCTSVCTSLLMNAKDM4E
SCHEMBL308319 0.76 GSK3B (0.61) HPGDLMNAKDM4ETP53RAB9A
SCHEMBL29470995 0.76 GSK3B (0.61) HPGDLMNAKDM4ETP53RAB9A
SCHEMBL1988750 0.75 KDM4E (0.58) HPGDLMNAKDM4ETP53HSD17B10
SCHEMBL6001723 0.75 CTSV (0.75) HPGDCTSVCTSLLMNAKDM4E
Carbazole SCHEMBL28334621 0.75 KDM4E (0.61) HPGDLMNAKDM4ETP53NPSR1
Carbazole SCHEMBL12099644 0.75 KDM4E (0.61) HPGDLMNAKDM4ETP53NPSR1
SCHEMBL4772827 0.74 ALDH1A1 (0.97) HPGDLMNAKDM4ETP53NPSR1
SCHEMBL31718101 0.74 ALDH1A1 (0.97) HPGDLMNAKDM4ETP53NPSR1
SCHEMBL29411863 0.74 HPGD (1.00) HPGDCTSVCTSLLMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1994002145-A2 2-ARYL-4-QUINOLONES AS ANTITUMOR COMPOUNDS GENELABS TECHNOLOGIES, INC. (US) 1994-02-03 WO disclosed