SCHEMBL6895808

SCHEMBL6895808

Cc1ccc(CNC(c2ccccc2)[C@H](N)[C@@H](C)O)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.57
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
NPSR1 Q6W5P4 2/20 0.46
HTT P42858 2/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
MAPK1 P28482 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
KDM4E B2RXH2 2/20 0.43
PKM P14618 1/20 0.43
KEAP1 Q14145 2/20 0.40
NFE2L2 Q16236 2/20 0.40
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
SIGMAR1 Q99720 1/20 0.38

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
SCHEMBL6895745 0.91 LMNA (0.47) SMN1; SMN2MEN1KMT2ANPSR1HTT
SCHEMBL6894820 0.87 CYP1A2 (0.60) SMN1; SMN2MEN1KMT2ANPSR1HTT
SCHEMBL6886251 0.85 TDP1 (0.52) SMN1; SMN2MEN1KMT2ANPSR1HTT
SCHEMBL6894577 0.85 SMN1; SMN2 (0.40) SMN1; SMN2MEN1KMT2ANPSR1HTT
SCHEMBL6887798 0.84 GAA (0.45) SMN1; SMN2NPSR1HTTALDH1A1LMNA
SCHEMBL6895924 0.84 ALDH1A1 (0.48) SMN1; SMN2MEN1KMT2ANPSR1HTT
SCHEMBL6890574 0.81 PLA2G1B (0.52) SMN1; SMN2MEN1KMT2ANPSR1HTT
SCHEMBL6892550 0.81 EPHX1 (0.45) SMN1; SMN2MEN1KMT2ANPSR1HTT
SCHEMBL3649450 0.81 TACR1 (0.46) SMN1; SMN2MEN1KMT2ANPSR1HTT
SCHEMBL6892044 0.81 LMNA (0.38) SMN1; SMN2MEN1KMT2ANPSR1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2004502669-A 2004-01-29 JP claimed
EP-1353898-A2 COMPOUNDS TO TREAT ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2003-10-22 EP claimed
WO-2002002512-A2 COMPOUNDS TO TREAT ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2002-01-10 WO claimed