SCHEMBL28429419

SCHEMBL28429419

CC(C)(C)C(c1ccccc1)N1CCN(C(=O)O)C(CO)C1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
SLC6A9 P48067 2/20 0.40
CACNA1A O00555 2/20 0.39
CACNA2D1 P54289 2/20 0.39
CACNB1 Q02641 2/20 0.39
CACNA1C Q13936 1/20 0.39
TACR1 P25103 1/20 0.36
RIPK1 Q13546 2/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
FKBP1A P62942 2/20 0.35
KCNA5 P22460 1/20 0.35

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
SCHEMBL2014668 0.90 KMT2A (0.39) KMT2AMEN1SLC6A9CACNA1ACACNA2D1
SCHEMBL2014085 0.86 KMT2A (0.38) KMT2AMEN1SLC6A9CACNA1ACACNA2D1
SCHEMBL2017923 0.86 KMT2A (0.38) KMT2AMEN1SLC6A9CACNA1ACACNA2D1
SCHEMBL3495125 0.83 ABCB1 (0.39) LMNAGAA
SCHEMBL2014768 0.78 LMNA (0.35) KMT2AMEN1SLC6A9CACNA1ACACNA2D1
SCHEMBL3494272 0.78 OPRD1 (0.45) KMT2AMEN1CACNA1ACACNA2D1CACNB1
SCHEMBL3493659 0.78 NR1H2 (0.40)
SCHEMBL17821462 0.76 KMT2A (0.42) KMT2AMEN1SLC6A9CACNA1ACACNA2D1
SCHEMBL3494682 0.76 KMT2A (0.39) KMT2AMEN1CACNA1ACACNA2D1CACNB1
SCHEMBL4899270 0.73 KMT2A (0.56) KMT2AMEN1CACNA2D1CACNB1CACNA1C

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
CN-111285793-A Fluorine-substituted bimolecular carbazole derivative, and preparation method and application thereof 广州中医药大学(广州中医药研究院) 2020-06-16 CN disclosed