SCHEMBL23536551

SCHEMBL23536551

O=C(c1ccccc1F)N1CCN(c2ccc(Cl)cc2F)CC1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.66
SMN1; SMN2 Q16637 4/20 0.66
ALDH1A1 P00352 6/20 0.65
MAPT P10636 2/20 0.65
L3MBTL1 Q9Y468 2/20 0.64
HTT P42858 3/20 0.64
LMNA P02545 1/20 0.64
NPY2R P49146 1/20 0.59
KDM4E B2RXH2 4/20 0.59
PKM P14618 1/20 0.59
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
USP2 O75604 1/20 0.56
TDP1 Q9NUW8 2/20 0.55
MAPK1 P28482 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
HSD17B10 Q99714 1/20 0.54
MGLL Q99685 1/20 0.54
ALOX15 P16050 1/20 0.53
CYP1A2 P05177 1/20 0.53

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
SCHEMBL19418973 0.83 USP2 (0.62) TSHRSMN1; SMN2ALDH1A1MAPTL3MBTL1
SCHEMBL23535932 0.81 ENPP2 (0.53) TSHRSMN1; SMN2ALDH1A1MAPTL3MBTL1
SCHEMBL17552184 0.81 MEN1 (0.69) SMN1; SMN2ALDH1A1MAPTMEN1KMT2A
SCHEMBL21261350 0.80 SMN1; SMN2 (0.49) TSHRSMN1; SMN2ALDH1A1MAPTL3MBTL1
SCHEMBL22305400 0.80 TSHR (0.80) TSHRSMN1; SMN2ALDH1A1MAPTL3MBTL1
SCHEMBL11715149 0.80 TSHR (0.80) TSHRSMN1; SMN2ALDH1A1MAPTL3MBTL1
SCHEMBL29772909 0.77 L3MBTL1 (0.55) TSHRSMN1; SMN2ALDH1A1MAPTL3MBTL1
SCHEMBL24628361 0.77 L3MBTL1 (0.55) TSHRSMN1; SMN2ALDH1A1MAPTL3MBTL1
SCHEMBL946774 0.77 GRM5 (0.61) TSHRSMN1; SMN2ALDH1A1MAPTL3MBTL1
SCHEMBL16276065 0.77 MAPT (0.59) TSHRSMN1; SMN2ALDH1A1MAPTL3MBTL1

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
WO-2021127333-A1 TRPML MODULATORS CASMA THERAPEUTICS, INC. (US) 2021-06-24 WO disclosed