SCHEMBL4244230

SCHEMBL4244230

O=C(O)OCc1ccncc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.54
KMT2A Q03164 3/20 0.51
CYP19A1 P11511 3/20 0.51
KDM4E B2RXH2 1/20 0.51
CYP17A1 P05093 1/20 0.51
TDP1 Q9NUW8 2/20 0.46
LMNA P02545 1/20 0.46
ALDH1A1 P00352 3/20 0.45
NAMPT P43490 1/20 0.45
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43
MAPT P10636 1/20 0.43
NAPRT Q6XQN6 1/20 0.43
PIM1 P11309 1/20 0.42
PIM2 Q9P1W9 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
Pyridine SCHEMBL28200478 0.86 LMNA (0.58) POLBKMT2ATDP1LMNAALDH1A1
SCHEMBL4244228 0.84 KMT2A (0.53) POLBKMT2ACYP19A1KDM4ECYP17A1
SCHEMBL5621133 0.81 CYP19A1 (0.50) POLBKMT2ACYP19A1KDM4ECYP17A1
SCHEMBL3292568 0.81 ALDH1A1 (0.64) POLBKMT2ACYP19A1KDM4ECYP17A1
SCHEMBL112785 0.81 CYP19A1 (0.50) POLBKMT2ACYP19A1KDM4ECYP17A1
SCHEMBL2945515 0.81 ALDH1A1 (0.64) POLBKMT2ACYP19A1KDM4ECYP17A1
SCHEMBL28997377 0.81 POLB (0.53) POLBKMT2ACYP19A1KDM4ECYP17A1
SCHEMBL28997380 0.80 POLB (0.53) POLBKMT2ACYP19A1KDM4ECYP17A1
SCHEMBL30001820 0.79 ALDH1A1 (0.68) KMT2ATDP1LMNAALDH1A1MAPK1
SCHEMBL78553 0.79 ALDH1A1 (0.68) KMT2ATDP1LMNAALDH1A1MAPK1

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-2009147221-A1 SMALL MOLECULE LEPTIN RECEPTOR MODULATORS BIOVITRUM AB (PUBL) (SE) 2009-12-10 WO disclosed
WO-2009147216-A1 NEW PYRIDINE DERIVATIVES AS LEPTIN RECEPTOR MODULATOR MIMETICS BIOVITRUM AB (PUBL) (SE) 2009-12-10 WO disclosed
WO-2009147211-A1 NEW COMPOUNDS V BIOVITRUM AB (PUBL) (SE) 2009-12-10 WO disclosed