SCHEMBL18656568

SCHEMBL18656568

CN1CCCN(c2ccc(C(F)(F)F)cn2)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.60
▸ POLB P06746 1/20 0.59
▸ SMN1; SMN2 Q16637 3/20 0.57
▸ MAPT P10636 4/20 0.55
▸ GAA P10253 1/20 0.55
▸ L3MBTL1 Q9Y468 1/20 0.55
▸ HPGD P15428 1/20 0.54
▸ ALDH1A1 P00352 1/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ CYP1A2 P05177 1/20 0.53
▸ CYP2C9 P11712 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ PKM P14618 2/20 0.53
▸ DGAT1 O75907 1/20 0.52
▸ SOAT1 P35610 1/20 0.52
▸ KCNH2 Q12809 1/20 0.52
▸ ABL1 P00519 1/20 0.51
▸ LMNA P02545 1/20 0.51
▸ SMO Q99835 1/20 0.50

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
SCHEMBL8082196 0.94 SMN1; SMN2 (0.62) KDM4EPOLBSMN1; SMN2MAPTGAA
SCHEMBL14349623 0.87 KDM4E (0.48) KDM4EPOLBSMN1; SMN2MAPTL3MBTL1
SCHEMBL23207522 0.86 KDM4E (0.62) KDM4EPOLBSMN1; SMN2MAPTGAA
SCHEMBL16238574 0.84 KDM4E (0.60) KDM4EPOLBSMN1; SMN2MAPTGAA
SCHEMBL30582921 0.84 KDM4E (0.60) KDM4EPOLBSMN1; SMN2MAPTGAA
SCHEMBL18656554 0.82 KDM4E (0.60) KDM4EPOLBSMN1; SMN2MAPTGAA
SCHEMBL26785215 0.82 OGA (0.58) KDM4EPOLBSMN1; SMN2MAPTGAA
SCHEMBL22984345 0.82 HRH3 (0.59) KDM4EPOLBSMN1; SMN2MAPTGAA
SCHEMBL2155799 0.80 KDM4E (0.74) KDM4EPOLBSMN1; SMN2MAPTGAA
SCHEMBL2733014 0.80 SMN1; SMN2 (0.50) KDM4EPOLBSMN1; SMN2MAPTGAA

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
WO-2017049321-A1 BENZYL AMINE-CONTAINING HETEROCYCLIC COMPOUNDS AND COMPOSITIONS USEFUL AGAINST MYCOBACTERIAL INFECTION MILLER MARVIN J (US) 2017-03-23 — — WO disclosed
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