SCHEMBL21301282

SCHEMBL21301282

CC1CN(c2ccc3cc(-c4ccc(F)c(Cl)c4)c(=O)oc3c2)CCN1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2A1 Q16548 2/20 0.40
ESR2 Q92731 2/20 0.40
MIF P14174 4/20 0.39
BRD4 O60885 1/20 0.39
CREBBP Q92793 1/20 0.39
STS P08842 1/20 0.38
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
GLA P06280 1/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HSD11B1 P28845 1/20 0.37
HTR2A P28223 1/20 0.37
GRM2 Q14416 1/20 0.37

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
SCHEMBL15066827 1.00 BCL2A1 (0.40) BCL2A1ESR2MIFBRD4CREBBP
SCHEMBL15066310 0.87 NPC1 (0.46) ESR2MIFSTSALDH1A1KDM4E
SCHEMBL15066787 0.86 MIF (0.54) BCL2A1MIFALDH1A1KDM4EHPGD
SCHEMBL15066949 0.86 ESR2 (0.44) ESR2MIFSTSALDH1A1KDM4E
SCHEMBL15086320 0.85 NPC1 (0.46) ESR2MIFSTSALDH1A1KDM4E
SCHEMBL15066699 0.83 HSD11B1 (0.43) BCL2A1MIFALDH1A1KDM4EMEN1
SCHEMBL15066761 0.82 NPC1 (0.56) MIFALDH1A1KDM4EMEN1HPGD
SCHEMBL15069112 0.82 MAPT (0.48) ESR2MIFALDH1A1KDM4EMEN1
SCHEMBL15068939 0.82 MAPT (0.56) ESR2MIFBRD4CREBBPALDH1A1
SCHEMBL15065845 0.82 MAPT (0.48) ESR2MIFALDH1A1KDM4EMEN1

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
EP-2797592-B1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY PTC THERAPEUTICS INC (US) 2019-08-28 EP disclosed