SCHEMBL29601679

SCHEMBL29601679

C=C(OCC)c1ccc(C(=O)N(C)C)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.40
MAPK1 P28482 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
MAPT P10636 1/20 0.38
KDM4E B2RXH2 1/20 0.38
P4HTM Q9NXG6 4/20 0.38
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
DGAT1 O75907 1/20 0.37
P4HA1 P13674 1/20 0.37
MIF P14174 1/20 0.37
CDC7 O00311 1/20 0.35
DBF4 Q9UBU7 1/20 0.35
ABL1 P00519 1/20 0.35
EGFR P00533 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 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
SCHEMBL27039749 1.00 KMT2A (0.40) KMT2AMAPK1SMN1; SMN2ALDH1A1HPGD
SCHEMBL24775612 0.81 MAPK1 (0.64) KMT2AMAPK1SMN1; SMN2ALDH1A1HPGD
SCHEMBL2109944 0.78 MAPK1 (0.50) KMT2AMAPK1SMN1; SMN2ALDH1A1HPGD
SCHEMBL2108606 0.78 P4HTM (0.56) KMT2AMAPK1ALDH1A1L3MBTL1MAPT
SCHEMBL25196397 0.77 PARP10 (0.42) KMT2AMAPK1SMN1; SMN2L3MBTL1MAPT
SCHEMBL1004608 0.75 MAPK1 (0.64) MAPK1SMN1; SMN2HPGDL3MBTL1MAPT
SCHEMBL12663306 0.75 KDM4E (0.42) ALDH1A1HPGDMAPTKDM4ERAB9A
SCHEMBL22531099 0.74 RAB9A (0.43) KMT2AMAPK1SMN1; SMN2L3MBTL1MAPT
SCHEMBL22531098 0.74 RAB9A (0.43) KMT2AMAPK1SMN1; SMN2L3MBTL1MAPT
SCHEMBL29388906 0.74 RAB9A (0.43) KMT2AMAPK1SMN1; SMN2L3MBTL1MAPT

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
EP-4232449-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR TREATMENT OF HELMINTHIC INFECTIONS AND DISEASES Celgene Corporation (US) 2023-08-30 EP disclosed
CN-116547282-A Heterocyclic compounds and their use for the treatment of helminth infections and diseases 新基公司 2023-08-04 CN disclosed
WO-2022087326-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR TREATMENT OF HELMINTHIC INFECTIONS AND DISEASES CELGENE CORPORATION (US) 2022-04-28 WO disclosed