SCHEMBL3369185

SCHEMBL3369185

O=C(O)c1cnc(-c2nc(Br)ccc2O)nc1O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.34
KMT2A Q03164 5/20 0.34
HPGD P15428 2/20 0.34
SELL P14151 1/20 0.33
SELP P16109 1/20 0.33
APP P05067 4/20 0.32
KDM4E B2RXH2 3/20 0.32
KDM6B O15054 1/20 0.32
KDM6A O15550 1/20 0.32
TET3 O43151 1/20 0.32
KDM4A O75164 1/20 0.32
KDM4B O94953 1/20 0.32
KDM5C P41229 1/20 0.32
KDM4D Q6B0I6 1/20 0.32
TET2 Q6N021 1/20 0.32
ALKBH5 Q6P6C2 1/20 0.32
TET1 Q8NFU7 1/20 0.32
FTO Q9C0B1 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32
KDM4C Q9H3R0 1/20 0.32

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
SCHEMBL3369832 0.78 KDM4E (0.50) MEN1KMT2AHPGDKDM4EKDM6B
SCHEMBL31324964 0.74 MEN1 (0.46) MEN1KMT2AHPGDKDM4ETDP1
SCHEMBL31324953 0.72 KMT2A (0.42) MEN1KMT2AHPGDKDM4EL3MBTL1
SCHEMBL10769117 0.71 CYP1A2 (0.42) HPGDSELLSELPKDM4ECA12
SCHEMBL3788527 0.71 MEN1 (0.60) MEN1KMT2AHPGDL3MBTL1TDP1
SCHEMBL4527612 0.70 KDM4E (0.45) MEN1KMT2AHPGDKDM4EKDM6B
SCHEMBL30525578 0.69 NAPRT (0.43) MEN1KMT2AHPGDKDM4EKDM6B
SCHEMBL29049504 0.69 NAPRT (0.43) MEN1KMT2AHPGDKDM4EKDM6B
SCHEMBL11782992 0.69 MEN1 (0.50) MEN1KMT2AHPGDKDM4EKDM6B
SCHEMBL11240852 0.68 MEN1 (0.46) MEN1KMT2AHPGDKDM4EPTGS2

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