SCHEMBL21301331

SCHEMBL21301331

CCCC1C(C)=CC(F)=CN1/C=C(\C)c1cc2ccc(N3CCNCC3)cc2oc1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 2/20 0.38
MAOB P27338 2/20 0.32
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
CYP1A2 P05177 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32
ATM Q13315 1/20 0.32
APP P05067 1/20 0.31
KDM4E B2RXH2 2/20 0.30
ALDH1A1 P00352 2/20 0.30
HPGD P15428 2/20 0.30
MIF P14174 1/20 0.30
PFKFB3 Q16875 1/20 0.30
ALOX15 P16050 1/20 0.30
SLC16A1 P53985 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HSD17B10 Q99714 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL21301458 0.71 SLC16A3 (0.35) SLC16A3MAPT
SCHEMBL16844833 0.63 SLC16A3 (0.38) SLC16A3MAOBAPPKDM4EALDH1A1
SCHEMBL23010842 0.62 ADRB1 (0.54) SLC16A3CYP1A2CYP2C19
SCHEMBL16312153 0.62 SLC16A3 (0.63) SLC16A3MAOBMEN1USP2CYP1A2
SCHEMBL21301310 0.62 SLC16A3 (0.38) SLC16A3MAOBMEN1USP2CYP1A2
SCHEMBL18493219 0.61 MIF (0.65) SLC16A3MAOBUSP2MAPTKMT2A
SCHEMBL16674787 0.61 SLC16A3 (0.62) SLC16A3MAOBMEN1USP2CYP1A2
SCHEMBL28868214 0.61 ALDH1A1 (0.54) SLC16A3MAOBMEN1USP2CYP1A2
SCHEMBL15067426 0.61 MAOB (0.61) SLC16A3MAOB
SCHEMBL16674791 0.61 SLC16A3 (0.58) SLC16A3MAOBCYP2C19APPMIF

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