SCHEMBL2579130

SCHEMBL2579130

O=S(=O)(Nc1ccccc1)c1cccnc1-n1cccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
POLB P06746 1/20 0.43
TP53 P04637 3/20 0.43
MAPT P10636 3/20 0.42
ALDH1A1 P00352 2/20 0.42
GAA P10253 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
EDNRB P24530 1/20 0.42
EDNRA P25101 1/20 0.42
PKM P14618 1/20 0.41
DUSP3 P51452 1/20 0.41
PTPN5 P54829 1/20 0.41
CASP6 P55212 1/20 0.41
PTPN11 Q06124 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
LIMK2 P53671 1/20 0.40
IL1RN P18510 1/20 0.40
KEAP1 Q14145 1/20 0.40

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
SCHEMBL29718737 0.78 CA1 (0.46) KDM4EMEN1KMT2AMAPTALDH1A1
SCHEMBL30096912 0.75 KDM4A (0.39) KDM4EMEN1KMT2AMAPTALDH1A1
SCHEMBL27811903 0.74 KMT2A (0.72) MEN1KMT2APOLBTP53MAPT
SCHEMBL9959446 0.74 ALDH1A1 (0.56) KDM4EMEN1KMT2ATP53ALDH1A1
SCHEMBL3670519 0.73 KDM4E (0.54) KDM4EMEN1KMT2ATP53ALDH1A1
SCHEMBL27973531 0.73 ACLY (0.55) KDM4EMEN1KMT2ATP53ALDH1A1
SCHEMBL4649077 0.73 KDM4E (0.45) KDM4EMEN1KMT2ATP53ALDH1A1
SCHEMBL7627388 0.71 KEAP1 (0.67) MEN1KMT2APOLBALDH1A1PKM
SCHEMBL18862467 0.70 KDM4E (0.60) KDM4EMEN1KMT2ATP53MAPT
SCHEMBL9954267 0.70 SLC22A12 (0.55) KDM4EMEN1KMT2APOLBTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2382205-A2 DERIVATIVES OF 2-PYRIDIN-2-YL-PYRAZOL-3(2H)-ONE, PREPARATION AND THERAPEUTIC USE THEREOF AS HIF ACTIVATORS SANOFI (FR) 2011-11-02 EP claimed
WO-2010076524-A2 DERIVATIVES OF 2-PYRIDIN-2-YL-PYRAZOL-3(2H)-ONE, PREPARATION AND THERAPEUTIC USE THEREOF AS HIF ACTIVATORS SANOFI-AVENTIS (FR) 2010-07-08 WO claimed
EP-2382205-A2 DERIVATIVES OF 2-PYRIDIN-2-YL-PYRAZOL-3(2H)-ONE, PREPARATION AND THERAPEUTIC USE THEREOF AS HIF ACTIVATORS SANOFI (FR) 2011-11-02 EP disclosed
WO-2010076524-A2 DERIVATIVES OF 2-PYRIDIN-2-YL-PYRAZOL-3(2H)-ONE, PREPARATION AND THERAPEUTIC USE THEREOF AS HIF ACTIVATORS SANOFI-AVENTIS (FR) 2010-07-08 WO disclosed