SCHEMBL8601281

SCHEMBL8601281

C[C@H](CCNCc1ccccc1)NC(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.56
ALDH1A1 P00352 2/20 0.56
KMT2A Q03164 5/20 0.53
MEN1 O00255 3/20 0.53
HTT P42858 1/20 0.53
HPGD P15428 1/20 0.53
CYP2C9 P11712 3/20 0.50
CYP2C19 P33261 3/20 0.50
TDP1 Q9NUW8 1/20 0.50
KDM4E B2RXH2 1/20 0.50
MAPT P10636 1/20 0.49
POLB P06746 3/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CYP1A2 P05177 2/20 0.48
USP2 O75604 1/20 0.47
TSHR P16473 1/20 0.47
CYP3A4 P08684 1/20 0.47
MAPK1 P28482 1/20 0.47

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
SCHEMBL2679135 0.84 LMNA (0.55) SMN1; SMN2ALDH1A1KMT2AHTTHPGD
SCHEMBL25392022 0.83 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1KMT2AMEN1HTT
SCHEMBL22506679 0.83 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1KMT2AMEN1HTT
SCHEMBL22506677 0.83 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1KMT2AMEN1HTT
SCHEMBL2543476 0.83 SMN1; SMN2 (0.73) SMN1; SMN2ALDH1A1KMT2AMEN1HTT
SCHEMBL3545215 0.80 S1PR1 (0.48) ALDH1A1KMT2AMEN1
SCHEMBL26127761 0.78 MEN1 (0.59) ALDH1A1KMT2AMEN1TDP1MAPT
SCHEMBL2305794 0.78 MEN1 (0.59) ALDH1A1KMT2AMEN1TDP1MAPT
SCHEMBL5784665 0.77 MEN1 (0.64) KMT2AMEN1TDP1MAPTL3MBTL1
SCHEMBL24609344 0.75 NPC1 (0.79) SMN1; SMN2ALDH1A1KMT2AMEN1NPC1

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
US-5733928-A IMMUNOSUPPRESSANTS FOURNIER INDUSTRIE ET SANTE (FR) 1998-03-31 US disclosed