SCHEMBL23643157

SCHEMBL23643157

CC(=O)c1ccc(C=N)nc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 1/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
KDM4E B2RXH2 1/20 0.42
HPGD P15428 2/20 0.41
MAPT P10636 2/20 0.41
RAB9A P51151 1/20 0.41
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
P4HA1 P13674 2/20 0.35
P4HTM Q9NXG6 2/20 0.35
HSD17B1 P14061 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
RARA P10276 1/20 0.35
RARB P10826 1/20 0.35
RARG P13631 1/20 0.35
RXRA P19793 1/20 0.35
GAA P10253 1/20 0.35
MIF P14174 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34

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
SCHEMBL15581120 0.82 KCNJ1 (0.44) KCNJ1L3MBTL1KDM4EHPGDMAPT
SCHEMBL29956704 0.82 KCNJ1 (0.44) KCNJ1L3MBTL1KDM4EHPGDMAPT
SCHEMBL31003291 0.81 KCNJ1 (0.42) KCNJ1L3MBTL1KDM4EHPGDMAPT
SCHEMBL932013 0.81 KCNJ1 (0.42) KCNJ1L3MBTL1KDM4EHPGDMAPT
SCHEMBL29123392 0.73 P4HTM (0.64) KCNJ1L3MBTL1HPGDMAPTRAB9A
SCHEMBL30626041 0.73 P4HTM (0.64) KCNJ1L3MBTL1HPGDMAPTRAB9A
SCHEMBL1092282 0.71 KCNJ1 (0.47) KCNJ1L3MBTL1HPGDMAPTRAB9A
SCHEMBL31290288 0.71 HDAC1 (0.62) KCNJ1L3MBTL1KDM4EHPGDMAPT
SCHEMBL3595340 0.71 KCNJ1 (0.47) KCNJ1L3MBTL1HPGDMAPTRAB9A
SCHEMBL30269694 0.71 P4HTM (0.54) KCNJ1L3MBTL1KDM4EHPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210215670-A1 COMPOUNDS AND METHODS OF IDENTIFYING, SYNTHESIZING, OPTIMIZING AND PROFILING PROTEIN MODULATORS HMI Medical Innovations, LLC 2021-07-15 US disclosed