SCHEMBL11247427

SCHEMBL11247427

C[C@H](NCc1ccccn1)C(=O)Oc1ccc(Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
NPC1 O15118 3/20 0.48
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.46
ALDH1A1 P00352 2/20 0.45
HPGD P15428 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL8310726 0.82 ALDH1A1 (0.54) SMN1; SMN2NPC1KMT2AMEN1ALDH1A1
SCHEMBL9110496 0.82 ALDH1A1 (0.54) SMN1; SMN2NPC1KMT2AMEN1ALDH1A1
SCHEMBL2866892 0.76 ALDH1A1 (0.56) RAB9ASMN1; SMN2NPC1KMT2AMEN1
SCHEMBL4782825 0.74 ALDH1A1 (0.55) RAB9ASMN1; SMN2NPC1KMT2AMEN1
SCHEMBL2499727 0.72 ALDH1A1 (0.52) RAB9ASMN1; SMN2NPC1KMT2AMEN1
SCHEMBL29833357 0.71 ALDH1A1 (0.51) RAB9ASMN1; SMN2NPC1KMT2AMEN1
SCHEMBL13975631 0.71 KMT2A (0.53) RAB9ASMN1; SMN2NPC1KMT2AMEN1
SCHEMBL27796240 0.69 ALDH1A1 (0.52) SMN1; SMN2NPC1KMT2AMEN1ALDH1A1
SCHEMBL12069840 0.69 ALDH1A1 (0.54) RAB9ASMN1; SMN2NPC1ALDH1A1MAPT
SCHEMBL104954 0.69 MAOA (0.53) RAB9ASMN1; SMN2NPC1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0067641-A2 Amino acids BEECHAM GROUP PLC (GB) 1982-12-22 EP claimed
EP-0067641-A2 Amino acids BEECHAM GROUP PLC (GB) 1982-12-22 EP disclosed