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
SCHEMBL31146819 0.86 ABL1 (0.51) KMT2AALOX15SMN1; SMN2CISD1MEN1
SCHEMBL31146773 0.86 ABL1 (0.51) KMT2AALOX15SMN1; SMN2CISD1MEN1
SCHEMBL12471164 0.85 KMT2A (0.43) KMT2AALOX15LMNASMN1; SMN2KDM4E
SCHEMBL18208607 0.81 KMT2A (0.44) KMT2AALOX15KDM4ENPSR1POLB
SCHEMBL1521870 0.81 PKM (0.45) KMT2ALMNAKDM4EIDO1POLB
SCHEMBL7531364 0.81 LMNA (0.58) KMT2ALMNASMN1; SMN2NPSR1IDO1
SCHEMBL18893491 0.79 LMNA (0.45) KMT2ALMNASMN1; SMN2IDO1MEN1
SCHEMBL25866513 0.79 ALDH1A1 (0.46) KMT2AALOX15LMNASMN1; SMN2KDM4E
SCHEMBL18815188 0.78 IDO1 (0.39) IDO1CHRNA7

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
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