SCHEMBL15720108

SCHEMBL15720108

Fc1cc(F)c(F)c(C2CCN(Cc3cnc(N4CCCC4)s3)C2)c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
PDE2A O00408 2/20 0.46
SMN1; SMN2 Q16637 5/20 0.45
LMNA P02545 4/20 0.45
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
GAA P10253 2/20 0.38
MAPK1 P28482 2/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
RAB9A P51151 1/20 0.37
KDM4E B2RXH2 2/20 0.37
NPC1 O15118 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
SCHEMBL2750560 0.82 ALDH1A1 (0.41) ALDH1A1MEN1KMT2APDE2ASMN1; SMN2
SCHEMBL30361145 0.82 ALDH1A1 (0.41) ALDH1A1MEN1KMT2APDE2ASMN1; SMN2
SCHEMBL2361091 0.81 OGA (0.42) ALDH1A1SMN1; SMN2
SCHEMBL17206376 0.70 SMN1; SMN2 (0.56) ALDH1A1MEN1KMT2APDE2ASMN1; SMN2
SCHEMBL28848742 0.67 SMN1; SMN2 (0.67) ALDH1A1MEN1KMT2APDE2ASMN1; SMN2
SCHEMBL5063006 0.65 L3MBTL1 (0.44) ALDH1A1MEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL5057013 0.65 KMT2A (0.32) ALDH1A1MEN1KMT2APDE2AL3MBTL1
SCHEMBL2334323 0.65 LMNA (0.38) ALDH1A1LMNAL3MBTL1GAA
SCHEMBL30361116 0.65 LMNA (0.38) ALDH1A1LMNAL3MBTL1GAA
SCHEMBL17205885 0.64 PDE2A (1.00) PDE2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2968237-A1 METHODS AND COMPOSITIONS FOR IMPROVING COGNITIVE FUNCTION The Johns Hopkins University (US) 2016-01-20 EP disclosed
EP-2919788-A1 METHODS AND COMPOSITIONS FOR TREATING SCHIZOPHRENIA The Johns Hopkins University (US) 2015-09-23 EP disclosed
WO-2014144663-A1 METHODS AND COMPOSITIONS FOR IMPROVING COGNITIVE FUNCTION THE JOHNS HOPKINS UNIVERSITY (US) 2014-09-18 WO disclosed
WO-2014078568-A1 METHODS AND COMPOSITIONS FOR TREATING SCHIZOPHRENIA THE JOHNS HOPKINS UNIVERSITY (US) 2014-05-22 WO disclosed