SCHEMBL9458202

SCHEMBL9458202

CCOc1cccc(/C=N/NC(=N)C(=N)N/N=C/c2cccc(OCC)c2O)c1O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCOA3 Q9Y6Q9 2/20 0.61
NPC1 O15118 4/20 0.57
RAB9A P51151 4/20 0.57
KLF5 Q13887 1/20 0.57
KDM4E B2RXH2 5/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
MAPT P10636 4/20 0.54
LMNA P02545 4/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
TDP1 Q9NUW8 3/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
NR2F2 P24468 1/20 0.54
CASP3 P42574 1/20 0.54
SENP8 Q96LD8 1/20 0.54
SENP7 Q9BQF6 1/20 0.54
SENP6 Q9GZR1 1/20 0.54
TNF P01375 1/20 0.54
NOD1 Q9Y239 1/20 0.54
GAA P10253 1/20 0.53

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
SCHEMBL9458185 0.84 KDM4E (0.74) NPC1RAB9AKLF5KDM4ESMN1; SMN2
SCHEMBL21192739 0.82 NCOA3 (0.76) NCOA3NPC1RAB9AKLF5KDM4E
SCHEMBL19283318 0.81 NCOA3 (0.71) NCOA3NPC1RAB9AKLF5KDM4E
SCHEMBL19283321 0.81 NCOA3 (0.71) NCOA3NPC1RAB9AKLF5KDM4E
SCHEMBL6819202 0.79 HPGD (0.59) NCOA3NPC1RAB9AKLF5KDM4E
SCHEMBL6819196 0.79 HPGD (0.59) NCOA3NPC1RAB9AKLF5KDM4E
SCHEMBL1638493 0.79 NCOA3 (0.65) NCOA3NPC1RAB9AKLF5KDM4E
SCHEMBL19478555 0.79 NCOA3 (0.78) NCOA3NPC1RAB9AKLF5KDM4E
SCHEMBL1638494 0.79 NCOA3 (0.65) NCOA3NPC1RAB9AKLF5KDM4E
SCHEMBL2317503 0.78 KDM4E (0.58) NCOA3NPC1RAB9AKLF5KDM4E

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-5204311-A Yellow colored coordination compounds of transition metals MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1993-04-20 US disclosed
EP-0531020-A1 Ethanediimidic acid bis arylalkylidene)hydrazide MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1993-03-10 EP disclosed