SCHEMBL6698403

SCHEMBL6698403

O=C(OCc1ccncc1)c1ccc(F)c(F)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.55
▸ KMT2A Q03164 4/20 0.54
▸ KDM4E B2RXH2 1/20 0.54
▸ NAMPT P43490 2/20 0.48
▸ MEN1 O00255 1/20 0.47
▸ CNR2 P34972 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ LMNA P02545 3/20 0.46
▸ TDP1 Q9NUW8 2/20 0.46
▸ CES2 O00748 1/20 0.44
▸ CES1 P23141 1/20 0.44
▸ SLC6A2 P23975 1/20 0.44
▸ SLC6A3 Q01959 1/20 0.44
▸ CYP17A1 P05093 1/20 0.43
▸ CYP11B1 P15538 1/20 0.43
▸ CYP11B2 P19099 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL6693656 0.84 KMT2A (0.64) MAPTKMT2AKDM4EMEN1L3MBTL1
Hydrochloric Acid SCHEMBL11489831 0.81 KMT2A (0.60) MAPTKMT2AKDM4ENAMPTMEN1
SCHEMBL13885601 0.79 KMT2A (0.76) MAPTKMT2AKDM4ENAMPTMEN1
SCHEMBL5353997 0.76 NAMPT (0.51) MAPTNAMPTL3MBTL1LMNACES2
SCHEMBL27510637 0.76 LMNA (0.56) MAPTKMT2AKDM4ENAMPTCNR2
SCHEMBL14062862 0.76 KMT2A (0.76) MAPTKMT2AKDM4ENAMPTMEN1
SCHEMBL29823214 0.74 CA12 (0.61) MAPTKMT2AKDM4EMEN1LMNA
SCHEMBL2335784 0.74 CES2 (0.53) MAPTKMT2AMEN1LMNACES2
SCHEMBL1147208 0.74 CA12 (0.61) MAPTKMT2AKDM4EMEN1LMNA
SCHEMBL1353510 0.73 KMT2A (0.51) MAPTKMT2AKDM4EMEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0941998-B1 3,6-ketal macrolide antibiotics PFIZER PROD INC (US) 2004-09-01 — — EP disclosed
US-6043226-A TREATING BACTERIAL, PARASITIC AND PROTOZOAL INFECTIONS PFIZER INC. (US) 2000-03-28 — — US disclosed
EP-0941998-A2 3,6-ketal and enol ether macrolide antibiotics Pfizer Products Inc. (US) 1999-09-15 — — EP disclosed
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