SCHEMBL7651453

SCHEMBL7651453

O=C(COc1c[c]ccc1)N1CC[C@H](O)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
MAPT P10636 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
RAB9A P51151 3/20 0.45
TP53 P04637 2/20 0.45
NPC1 O15118 2/20 0.45
ALDH1A1 P00352 6/20 0.45
CYP2D6 P10635 4/20 0.45
GAA P10253 3/20 0.45
CYP3A4 P08684 3/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
CYP2C19 P33261 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
HTT P42858 1/20 0.45
PDK2 Q15119 1/20 0.44
KDM4E B2RXH2 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
SLC6A2 P23975 2/20 0.42

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
SCHEMBL7651450 1.00 KMT2A (0.47) KMT2AMEN1MAPTSMN1; SMN2RAB9A
SCHEMBL6293485 0.88 CYP3A4 (0.41) KMT2AMEN1MAPTSMN1; SMN2RAB9A
SCHEMBL6293484 0.88 CYP3A4 (0.41) KMT2AMEN1MAPTSMN1; SMN2RAB9A
SCHEMBL3160001 0.81 KMT2A (0.58) KMT2AMEN1MAPTRAB9ANPC1
SCHEMBL3175249 0.80 HPGD (0.57) KMT2AMEN1MAPTSMN1; SMN2RAB9A
SCHEMBL3168918 0.78 POLB (0.64) KMT2AMEN1SMN1; SMN2RAB9ATP53
SCHEMBL3159408 0.78 FKBP1A (0.61) KMT2AMEN1MAPTSMN1; SMN2ALDH1A1
SCHEMBL10191949 0.76 ALDH1A1 (0.58) KMT2AMEN1MAPTSMN1; SMN2RAB9A
SCHEMBL6297194 0.76 MEN1 (0.55) KMT2AMEN1SMN1; SMN2ALDH1A1GAA
SCHEMBL14694131 0.74 LMNA (0.40) KMT2AMEN1MAPTSMN1; SMN2RAB9A

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-6376527-B1 ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASES SYNTEX (U.S.A.) LLC 2002-04-23 US disclosed