SCHEMBL3369832

SCHEMBL3369832

O=C(O)c1cnc(-c2ncccc2O)nc1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.50
TDP1 Q9NUW8 1/20 0.50
ALDH1A1 P00352 5/20 0.46
LMNA P02545 2/20 0.46
ALOX12 P18054 1/20 0.46
NAPRT Q6XQN6 3/20 0.44
EGLN1 Q9GZT9 4/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
KDM4A O75164 2/20 0.42
KDM6B O15054 1/20 0.42
KDM6A O15550 1/20 0.42
TET3 O43151 1/20 0.42
KDM4B O94953 1/20 0.42
KDM5C P41229 1/20 0.42
KDM4D Q6B0I6 1/20 0.42
TET2 Q6N021 1/20 0.42
ALKBH5 Q6P6C2 1/20 0.42
TET1 Q8NFU7 1/20 0.42
FTO Q9C0B1 1/20 0.42
KDM4C Q9H3R0 1/20 0.42

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
SCHEMBL30525578 0.80 NAPRT (0.43) KDM4ETDP1ALDH1A1LMNAALOX12
SCHEMBL29049504 0.80 NAPRT (0.43) KDM4ETDP1ALDH1A1LMNAALOX12
SCHEMBL3368012 0.80 ALDH1A1 (0.54) KDM4EALDH1A1LMNAL3MBTL1MAPT
SCHEMBL3369185 0.78 MEN1 (0.34) KDM4ETDP1ALDH1A1EGLN1L3MBTL1
SCHEMBL30525582 0.77 KDM4E (0.47) KDM4ETDP1LMNAL3MBTL1KDM4A
SCHEMBL2558755 0.77 KDM4E (0.47) KDM4ETDP1LMNAL3MBTL1KDM4A
SCHEMBL3371440 0.77 KDM4E (0.40) KDM4ETDP1ALDH1A1LMNAALOX12
SCHEMBL11782258 0.76 MKNK1 (0.55) KDM4ETDP1ALDH1A1LMNACYP3A4
SCHEMBL3788527 0.76 MEN1 (0.60) TDP1ALDH1A1LMNAL3MBTL1MAPT
SCHEMBL3365965 0.75 KDM4E (0.46) KDM4ETDP1ALDH1A1LMNAALOX12

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
WO-2010018458-A2 PHENOL DERIVATIVES AND METHODS OF USE THEREOF CRYSTALGENOMICS, INC. (KR) 2010-02-18 WO claimed
WO-2010018458-A2 PHENOL DERIVATIVES AND METHODS OF USE THEREOF CRYSTALGENOMICS, INC. (KR) 2010-02-18 WO disclosed
WO-2010018458-A2 PHENOL DERIVATIVES AND METHODS OF USE THEREOF CRYSTALGENOMICS, INC. (KR) 2010-02-18 WO disclosed