SCHEMBL13928729

SCHEMBL13928729

Cc1ccccc1NC(=O)CN1CCC(N(C)C(=O)COc2cc(C)c(N)c(C)c2C)CC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ KMT2A Q03164 6/20 0.44
▸ MEN1 O00255 4/20 0.44
▸ TDP1 Q9NUW8 2/20 0.43
▸ CYP2D6 P10635 2/20 0.43
▸ CYP2C19 P33261 2/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ POLB P06746 2/20 0.42
▸ ALDH1A1 P00352 3/20 0.41
▸ TSHR P16473 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ MAPK10 P53779 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ UBE2N P61088 1/20 0.41
▸ RAD52 P43351 1/20 0.40

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
SCHEMBL4205213 0.91 POLB (0.40) SMN1; SMN2KMT2AMEN1TDP1CYP2D6
SCHEMBL4205168 0.90 ALDH1A1 (0.45) KMT2AMEN1CYP2D6CYP3A4POLB
SCHEMBL4212200 0.90 KCNA5 (0.46) SMN1; SMN2KMT2AMEN1CYP2C19CYP3A4
SCHEMBL4358102 0.90 DRD4 (0.49) SMN1; SMN2CYP2D6CYP2C19POLBALDH1A1
SCHEMBL4212892 0.88 ALDH1A1 (0.39) SMN1; SMN2KMT2AMEN1POLBALDH1A1
SCHEMBL4212566 0.87 RAD52 (0.38) SMN1; SMN2KMT2AMEN1TDP1CYP2D6
SCHEMBL4202948 0.86 MEN1 (0.38) SMN1; SMN2KMT2AMEN1POLBALDH1A1
SCHEMBL13928732 0.85 SMN1; SMN2 (0.44) SMN1; SMN2KMT2AMEN1TDP1CYP2D6
SCHEMBL13928735 0.84 POLB (0.42) SMN1; SMN2KMT2AMEN1TDP1CYP2C19
SCHEMBL4218431 0.84 POLB (0.47) SMN1; SMN2KMT2AMEN1POLBALDH1A1

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-7488738-B2 Aminophenoxyacetic acid derivatives and pharmaceutical composition containing thereof ASUBIO PHARMA CO., LTD. (JP) 2009-02-10 — — US disclosed
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