SCHEMBL2197405

SCHEMBL2197405

Cc1ccc(OCCN2CCOCC2)cc1C(=O)c1ccccc1N(N)c1ccc(F)cc1F

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 8/20 0.53
EPHX2 P34913 2/20 0.43
NPC1 O15118 2/20 0.43
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 1/20 0.43
RAB9A P51151 1/20 0.43
SYK P43405 1/20 0.42
PDGFRB P09619 1/20 0.42
PDGFRA P16234 1/20 0.42
CHUK O15111 2/20 0.41
INSR P06213 2/20 0.41
MAPK8 P45983 2/20 0.41
CAMKK2 Q96RR4 2/20 0.41
HRH3 Q9Y5N1 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL2197399 0.80 MAPK14 (0.56) MAPK14EPHX2SYKHRH3
SCHEMBL2200292 0.76 MAPK14 (0.60) MAPK14EPHX2HRH3
SCHEMBL2196902 0.74 MAPK14 (0.60) MAPK14EPHX2
SCHEMBL12164732 0.74 MAPK14 (0.59) MAPK14EPHX2HRH3
SCHEMBL30344808 0.73 KDM4E (0.62) NPC1ALDH1A1SMN1; SMN2KDM4ERAB9A
SCHEMBL2203135 0.72 MAPK14 (0.57) MAPK14EPHX2NPC1ALDH1A1SMN1; SMN2
SCHEMBL1911879 0.71 NPC1 (0.69) NPC1ALDH1A1SMN1; SMN2KDM4ERAB9A
SCHEMBL30344157 0.71 NPC1 (0.59) NPC1ALDH1A1SMN1; SMN2KDM4ERAB9A
SCHEMBL2201701 0.70 MAPK14 (0.57) MAPK14EPHX2NPC1ALDH1A1SMN1; SMN2
SCHEMBL259795 0.67 NPC1 (0.77) NPC1ALDH1A1SMN1; SMN2KDM4ERAB9A

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-7977387-B2 Aminobenzophenone compounds LEO PHARMA A/S (DK) 2011-07-12 US disclosed