SCHEMBL18893409

SCHEMBL18893409

CCCNc1ccc(F)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
ALOX15 P16050 5/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
IDO1 P14902 1/20 0.39
MAPK1 P28482 1/20 0.38
MAPK14 Q16539 1/20 0.37
POLB P06746 1/20 0.36
CISD1 Q9NZ45 1/20 0.36
CHRNA7 P36544 1/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL3714949 0.88 ALOX15 (0.49) KMT2AALOX15SMN1; SMN2CISD1MEN1
SCHEMBL31146773 0.86 ABL1 (0.51) KMT2AALOX15SMN1; SMN2CISD1MEN1
SCHEMBL31146819 0.86 ABL1 (0.51) KMT2AALOX15SMN1; SMN2CISD1MEN1
SCHEMBL12471164 0.85 KMT2A (0.43) KMT2AALOX15LMNASMN1; SMN2KDM4E
SCHEMBL18208607 0.81 KMT2A (0.44) KMT2AALOX15KDM4ENPSR1POLB
SCHEMBL7531364 0.81 LMNA (0.58) KMT2ALMNASMN1; SMN2NPSR1IDO1
SCHEMBL1521870 0.81 PKM (0.45) KMT2ALMNAKDM4EIDO1POLB
SCHEMBL18893491 0.79 LMNA (0.45) KMT2ALMNASMN1; SMN2IDO1MEN1
SCHEMBL25866513 0.79 ALDH1A1 (0.46) KMT2AALOX15LMNASMN1; SMN2KDM4E
SCHEMBL19848697 0.78 CHRNA7 (0.39) SMN1; SMN2IDO1CHRNA7

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-3252045-B1 CYANOGUANIDINES AND THEIR USE AS ANTIVIRAL AGENTS ABBVIE INC (US) 2019-09-04 EP disclosed
US-9656956-B2 Benzene, pyridine, and pyridazine derivatives ESANEX, INC. (US) 2017-05-23 US disclosed