SCHEMBL9537078

SCHEMBL9537078

O=C(O)Cc1ncc2cccnc2n1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.47
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
KMT2A Q03164 1/20 0.47
CYP1A2 P05177 2/20 0.44
MAPT P10636 1/20 0.44
NAPRT Q6XQN6 1/20 0.42
ALDH1A1 P00352 3/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
POLB P06746 1/20 0.36
EGLN1 Q9GZT9 2/20 0.36
ACP1 P24666 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL5623659 0.76 KDM4E (0.49) KDM4EMEN1KMT2ACYP1A2MAPT
SCHEMBL9801881 0.76 CYP1A2 (0.37) KDM4EKMT2ACYP1A2MAPTNAPRT
SCHEMBL29916309 0.76 KDM4E (0.39) KDM4EMEN1LMNAKMT2AMAPT
SCHEMBL12844511 0.75 ALDH1A1 (0.38) KDM4EMEN1LMNAKMT2AMAPT
SCHEMBL5561856 0.75 ALDH1A1 (0.38) KDM4EMEN1LMNAKMT2ACYP1A2
SCHEMBL28739245 0.75 KDM4E (0.57) KDM4EMEN1LMNAKMT2ACYP1A2
SCHEMBL23500680 0.74 LMNA (0.56) KDM4EMEN1LMNAKMT2AMAPT
SCHEMBL874090 0.71 CYP1A2 (0.50) KDM4ELMNACYP1A2MAPTNAPRT
SCHEMBL12463791 0.70 KDM4E (0.47) KDM4EMEN1LMNAKMT2ACYP1A2
SCHEMBL30513503 0.70 AGBL2 (0.45) KDM4EMEN1LMNAKMT2ACYP1A2

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
EP-0568540-A1 2,4-DIOXO-PYRIDO 2,3-d]PYRIMIDINE-3-ACETIC ACIDS AND ESTERS AND SALTS THEREOF PFIZER INC. (US) 1993-11-10 EP disclosed
WO-1992012979-A1 2,4-DIOXO-PYRIDO [2,3-d]PYRIMIDINE-3-ACETIC ACIDS AND ESTERS AND SALTS THEREOF PFIZER INC. (US) 1992-08-06 WO disclosed